Alternatives to Impurity Profiling Suite
Compare Impurity Profiling Suite alternatives for your business or organization using the curated list below. SourceForge ranks the best alternatives to Impurity Profiling Suite in 2026. Compare features, ratings, user reviews, pricing, and more from Impurity Profiling Suite competitors and alternatives in order to make an informed decision for your business.
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SYNTHIA Retrosynthesis Software
Merck KGaA
Expert-coded by chemists and engineered by computer scientists, SYNTHIA™ Retrosynthesis Software enables scientists to quickly find and easily navigate innovative and novel pathways for novel and published target molecules. Quickly and efficiently scan hundreds of pathways to help you identify the best option according to your needs. Explore the most cost-effective routes to your target molecules with state of the art visualization and filtering options. Easily customize search parameters to eliminate or promote reactions, reagents or classes of molecules. Explore unique and innovative syntheses that may be unknown for building your desired molecule. Easily generate a list of commercially available starting materials for your synthesis. Benefit from ISO/IEC 27001 Information Security Certification to guarantee the confidentiality, integrity, and protection of your data.Starting Price: €0 / 30 days -
2
Xybion LIMS
Xybion
Xybion LIMS (formerly Labwise XD) is an all-inclusive LIMS, ELN, QMS, and DMS. Xybion LIMS drives lab workflows, instills consistency, improves data quality, and supports regulatory compliance with a complete laboratory management solution that connects with your operating systems with powerful laboratory information management and analytics. Xybion LIMS creates optimized workflows for the unique business needs of all regulated laboratories including research, diagnostics, quality control, stability studies, and more. -
3
Simulations Plus
Simulations Plus
Our reputation as thought leaders in the areas of ADMET property prediction, physiologically-based pharmacokinetics (PBPK) modeling, pharmacometrics, and quantitative systems pharmacology/toxicology is earned through the success our clients have found through their relationship with us. We have the talent and 20+ years of experience to translate science into user-friendly software and provide expert consulting supporting drug discovery, clinical development research, and regulatory submissions. -
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Nautilus LIMS
Thermo Fisher Scientific
To accelerate new discoveries and get products to market as quickly as possible, R&D and manufacturing labs have to reconfigure and change on the fly. Data management can’t be a bottleneck. Developed in partnership with customers in fast-paced R&D environments, the Thermo Scientific™ Nautilus LIMS™ for Dynamic Discovery and R&D Environments is a highly flexible, easily configurable system that increases workflow efficiency, throughput and data reliability while simplifying administration, sample traceability and regulatory compliance. Automated handling of complex boards and proprietary graphics instruments make data monitoring and management easy, even novice users can delineate and track processes with ease. Clients can create workflows, delineate the life cycles of the samples and automate actions between different platforms while integrating regulated processes that comply with good laboratory practices and the 21 CFR Part 11 guidelines. -
5
alvaModel
Alvascience
alvaModel is a software tool for building, validating, comparing, and applying QSAR and QSPR models. It supports regression and classification workflows based on molecular descriptors and fingerprints, with a strong focus on model transparency, interpretability, and scientific robustness. The software includes multiple data splitting strategies, variable selection methods, modeling algorithms, and comprehensive internal and external validation procedures. alvaModel provides diagnostic plots, applicability domain analysis, and model comparison tools to support the identification of reliable and predictive models. Designed according to best practices in chemometrics, alvaModel facilitates the development of interpretable models consistent with the OECD principles for QSAR validation, making it suitable for research and regulatory-oriented applications. The graphical interface guides users through the entire modeling workflow while allowing full control over each modeling step. -
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Basesoft PharmaSuite
Basesoft
The software that will help you improve the safety, traceability, quality, agility and integration of your Pharmacotechnics and Medicines Manufacturing Unit. No two pharmacy services are the same, which is why we have divided PharmaSuite into functional modules that will help you manage the different units in the most efficient way. Management of the Pharmacotechnics and Drug Preparation unit (parenteral mixtures). Management of parenteral nutrition. -
7
AlphaFold
DeepMind
These exquisite, intricate machines are proteins. They underpin not just the biological processes in your body but every biological process in every living thing. They’re the building blocks of life. Currently, there are around 100 million known distinct proteins, with many more found every year. Each one has a unique 3D shape that determines how it works and what it does. But figuring out the exact structure of a protein remains an expensive and often time-consuming process, meaning we only know the exact 3D structure of a tiny fraction of the proteins known to science. Finding a way to close this rapidly expanding gap and predict the structure of millions of unknown proteins could not only help us tackle disease and more quickly find new medicines but perhaps also unlock the mysteries of how life itself works. -
8
Evidex
Advera Health Analytics
Automated surveillance of any data source, fully integrated with a GVP IX compliant signal management platform. GVP-IX compliant signal management platform integrated within Evidex and ready to use off-the-shelf. Modernize and audit-proof your management processes without having to move back and forth between platforms and services. Unlock the value of your safety data. When you automate signal detection and management, you can focus not just on regulatory requirements, but on driving value for your organization. Identify safety signals from traditional sources like ICSR databases, FDA Adverse Event Reporting System (FAERS), VigiBase and clinical trial data. Include new data sources such as claims, EHR, and other unstructured data. Bring these pools of information together seamlessly to enhance signaling algorithms, make validations and assessment more efficient, and provide faster answers to drug safety questions. -
9
Pristima
Xybion
In many laboratories, preclinical information resides in numerous internal systems and among several external partners. Without a unified solution, team members lack the necessary transparency of core business data to enable clear and informative decisions. Pristima is a fully integrated digital laboratory execution system with intelligent workflows, task automation, connected systems and facilities, and data and information management for the entire preclinical process. With a central data repository and standardized archive platform, Xybion has created a total preclinical solution platform to help you improve productivity and reduce costs. Gain visibility into information where it resides and initiate actions based on current business requirements with complete transparency across all platforms. Decrease end-of-study to final SEND submission timelines with effective data management. -
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Phoenix PK/PD Platform
Certara
With all the tools you need in a single, interoperable platform, effortlessly share pre-clinical and clinical knowledge across your organization through secure and consistent workflows using Phoenix-based tools and 3rd-party applications. Phoenix WinNonlin is the first choice for non-compartmental analysis (NCA), toxicokinetic modeling, and pharmacokinetic and pharmacodynamic (PK/PD) modeling by over 6,000 researchers at biopharmaceutical companies, academic institutions, and 11 global regulatory agencies, including the US FDA, EMA, PMDA and more. The Phoenix Platform also features population PK/PD (popPK) modeling with Phoenix NLME and Level A correlation via the Phoenix IVIVC Toolkit, Validation Suites provide fast and easy software validation in under 30 minutes. -
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Alchemite
Intellegens
Alchemite provides AI-augmented physical modeling and solutions that help organizations extract actionable insights from experimental and simulation data by combining machine learning with physics-informed models to improve prediction accuracy, reduce experimental costs, and optimize product and process development. Its solutions span materials discovery and design, predictive modelling of performance and reliability, multiscale modelling that connects atomistic to macroscopic behaviour, and automation of workflow tasks such as data integration, surrogate modelling, and model validation. It supports physics-aware neural networks and hybrid modelling approaches that respect underlying scientific laws while learning from data to enable faster and more accurate simulations, reduced reliance on expensive physical testing, and improved decision-making. Intellegens’ tools are applied in areas such as battery performance prediction, chemical process optimization, etc. -
12
Cortellis
Clarivate
Unlock hidden insights in data using the Cortellis™ suite of life science intelligence solutions – so you can make better informed decisions along the entire R&D lifecycle. We’ve removed the hard work of finding, integrating, and analyzing data so you can focus on the critical decisions needed to get your products to market faster. Applying a unique depth, breadth and quality of data that is enriched with deep domain knowledge, industry understanding, and therapeutic expertise, Cortellis unlocks hidden insights to drive data-driven decisions that accelerate innovation. Get precise, actionable answers to your specific questions across the R&D lifecycle with the broadest and deepest sources of intelligence. Accelerate innovation with Cortellis as an indispensable part of your daily workflow. -
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alvaMolecule
Alvascience
alvaMolecule is a no-code cheminformatics tool for visualizing, curating, and standardizing molecular datasets before analysis. It supports common molecular formats (SMILES, SDF/MOL2) and lets users explore collections in grid or spreadsheet views, with automatic import of associated data. The software provides structure verification and standardization using predefined standardizers and custom SMIRKS rules, helps detect and manage duplicates, and offers scaffold analysis to summarize core frameworks. Built-in filters and charting tools enable sorting by substructure, calculated molecular descriptors, and physicochemical properties. alvaMolecule calculates ~88 structural and physicochemical properties, including drug-like and lead-like scores such as LogP, TPSA, and the Lipinski alert index, helping prepare high-quality datasets for QSAR/QSPR modeling, descriptor calculation, and virtual screening workflows. -
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StarDrop
Optibrium
With its comprehensive suite of integrated software, StarDrop™ delivers best-in-class in silico technologies within a highly visual and user-friendly interface. StarDrop™ enables a seamless flow from the latest data through predictive modeling to decision-making regarding the next round of synthesis and research, improving the speed, efficiency, and productivity of the discovery process. Successful compounds require a balance of many different properties. StarDrop™ guides you through this multi-parameter optimization challenge to target compounds with the best chance of success, saving you time and resources by enabling you to synthesize and test fewer compounds. -
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AutoDock
AutoDock
AutoDock is a suite of automated docking tools. It is designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure. Over the years, it has been modified and improved to add new functionalities, and multiple engines have been developed. Current distributions of AutoDock consist of two generations of software: AutoDock 4 and AutoDock Vina. More recently, we developed AutoDock-GPU, an accelerated version of AutoDock4 that is hundreds of times faster than the original single-CPU docking code. AutoDock 4 actually consists of two main programs: autodock performs the docking of the ligand to a set of grids describing the target protein; autogrid pre-calculates these grids. In addition to using them for docking, the atomic affinity grids can be visualized. This can help, for example, to guide organic synthetic chemists design better binders. -
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Discngine Assay
Discngine
Discngine Assay is a laboratory informatics platform that integrates every phase of plate-based assays into a cohesive, compliant, and efficient workflow, making it an essential tool for screening research labs. It enables scientists to streamline the entire High Throughput Screening workflow, from sample management and assay data analysis to data warehousing and liquid handling equipment qualification. With its intuitive interface and robust API, Discngine Assay integrates seamlessly with Lab equipments and existing IT environment, ensuring efficient data capture and processing. Designed to accelerate new molecule discovery, it addresses the needs of pharmaceutical, biotech, and CRO industries, enhancing collaboration and driving innovation in life science research. -
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Cerella
Optibrium
Proven AI-powered drug discovery. Cerella creates new value from your drug discovery data, revealing hidden insights into the best compounds and most valuable experiments for your project. It makes confident predictions, accurately filling in missing values, especially for expensive downstream experiments that can’t be predicted by other methods. This enables you to do more, even with sparse, limited data sets. -
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ADME Suite
ACD/Labs
Predict absorption, distribution, metabolism, and excretion (ADME) properties from chemical structure. This collection of high-quality calculations of pharmacokinetic properties supports high-throughput screening of libraries, provides insights into pharmacological effects, and can help assure that products are safe for human use. -
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SCIEX
SCIEX
When operating LC-MS/MS for research or routine workflows, you expect to achieve fast, accurate, and conclusive results. The SCIEX software suite helps you get the most out of your high-performance LC-MS/MS system. It includes specific workflow and application modules to supplement your operating system. As a result, your mass spectrometer runs with the ideal software combination, tailored to your needs. These are the core engines of SCIEX nominal mass and accurate mass LC-MS/MS systems. They are for rapid and reliable data acquisition, processing, and reporting, all with compliance readiness. Combine high performance and simplicity with add-on modules for optimized quantitative and qualitative workflows. Translate your data into conclusive results even faster with application-specific software modules. -
20
alvaBuilder
Alvascience
alvaBuilder is a no-code de novo molecular design software for generating novel chemical structures that satisfy user-defined structural, physicochemical, and modeling constraints. It enables the creation of new molecules starting from scratch or by evolving existing structures using fragment-based and rule-driven approaches. alvaBuilder integrates seamlessly with QSAR/QSPR workflows, allowing users to guide molecule generation using predictive models, descriptor ranges, and property targets. The software supports medicinal chemistry, lead optimization, and virtual screening tasks by efficiently exploring chemical space while maintaining chemical feasibility and interpretability. alvaBuilder is designed for research and industrial applications where transparent, controllable, and reproducible molecular generation is required. -
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Mass Dynamics
Mass Dynamics
Discover biological biomarkers, create insights into disease mechanisms, discover new drugs or identify changes in protein levels from a set of carefully designed experiments. We’ve made it easy to start unlocking the power of MS and Proteomics so you can focus on the biological complexity and move closer to the moment of discovery. Our automated and repeatable workflow allows for quicker experiment startup and turnaround times, giving you the control and flexibility to make and act on decisions in the moment. Allowing you to focus on biological insights and human-to-human collaboration, our proteomics data processing workflow is built to scale, repeatedly. We’ve pushed heavy and repetitive processing to the cloud, enabling a seamless and enjoyable experience. Our intelligent Proteomics workflow seamlessly integrates complex moving parts to enable larger experiments to be processed and analyzed with ease. -
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LiveDesign
Schrödinger
LiveDesign is an enterprise informatics platform that enables teams to rapidly advance drug discovery projects by collaborating, designing, experimenting, analyzing, tracking, and reporting in a centralized platform. Capture ideas alongside experimental and modeling data. Create and store new virtual compounds in a centralized database, evaluate through advanced models, and prioritize new designs. Integrate biological data and model results across federated corporate databases, apply sophisticated cheminformatics to analyze all data at once, and progress compounds faster. Drive predictions and designs using advanced physics-based methods paired with machine learning techniques to rapidly improve prediction accuracy. Work together with remote team members in real-time. Share ideas, test, revise, and advance chemical series without losing track of your work. -
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ArgusLab
ArgusLab
ArgusLab is a molecular modeling, graphics, and drug design program for Windows operating systems. It’s getting a little dated by now, but remains surprisingly popular. To date, there are more than 20,000 downloads. ArgusLab is freely licensed. You don’t need to sign anything. You can use as many copies as you need if you are teaching a class where your students might benefit from using ArgusLab. You are not allowed to redistribute ArgusLab from other websites or sources. However, you may link to this website from your own websites if you like. A low-key effort is currently underway to port ArgusLab to the iPad. In addition, I’ve done some work with the Qt cross-platform development environment in an effort to support Mac, PC, and Linux.Starting Price: Free -
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Kaleido
Kaleido
The microbiome is implicated in numerous diseases and health conditions. Learn how Kaleido is leading a differentiated approach to translating the promise of the microbiome into solutions for patients. The human microbiome is a community of more than 30 trillion microbes, organisms that include bacteria, viruses, archaea and fungi, which reside on and inside the human body. Over the last decade, research has increased exponentially on the impact the microbiome has on human health, including cardiovascular disease, cancer, diabetes, Parkinson’s disease and allergies. This highly complex microbial ecosystem has been referred to as a “newly discovered organ.” Many other human organs command tens of billions of dollars for therapeutics that treat disease by modulating physiology. From a therapeutic perspective, the microbiome organ remains a largely untapped frontier in healthcare. -
25
adWATCH
Atlant Systems
adWATCH - AE helps pharmaceutical organizations manage and report adverse events that occur during clinical trials. adWATCH - AE gives the reporter at a clinic, hospital, or investigative site a fast and effective means of generating and managing Adverse Event Reports (AERs) and reporting to the regulatory departments and government agencies. An adverse effect is a negative or dangerous effect experienced by a patient and caused by drugs and/or medical devices. Adverse event reporting requires the tracking of all medical complaint case information, resulting in the generation of MedWatch reports, CIOMS reports and additional reports for management. adWATCH - AE allows researchers, physician investigators, Contract Research Organizations (CROs), clinical trial specialists, and other health professionals to produce and file AERs in the FDA mandated MedWatch and/or CIOMS format.2 -
26
AQBioSim
SandboxAQ
AQBioSim is a cloud-native platform developed by SandboxAQ that leverages Large Quantitative Models (LQMs) grounded in physics and chemistry to revolutionize materials discovery and optimization. By integrating Density Functional Theory (DFT), Iterative Full Configuration Interaction (iFCI), Generative AI, Bayesian Optimization, and Chemical Foundation Models, AQBioSim enables high-fidelity simulations of molecular and material behaviors under real-world conditions. AQBioSim's capabilities include predicting performance under various stresses, accelerating formulation through in silico testing, and exploring sustainable chemical processes. Notably, AQBioSim has demonstrated significant advancements in battery technology by reducing lithium-ion battery end-of-life prediction time by 95%, achieving 35x greater accuracy with 50x less data. -
27
NVIDIA BioNeMo
NVIDIA
BioNeMo is an AI-powered drug discovery cloud service and framework built on NVIDIA NeMo Megatron for training and deploying large biomolecular transformer AI models at a supercomputing scale. The service includes pre-trained large language models (LLMs) and native support for common file formats for proteins, DNA, RNA, and chemistry, providing data loaders for SMILES for molecular structures and FASTA for amino acid and nucleotide sequences. The BioNeMo framework will also be available for download for running on your own infrastructure. ESM-1, based on Meta AI’s state-of-the-art ESM-1b, and ProtT5 are transformer-based protein language models that can be used to generate learned embeddings for tasks like protein structure and property prediction. OpenFold, a deep learning model for 3D structure prediction of novel protein sequences, will be available in BioNeMo service. -
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DNAnexus Apollo
DNAnexus
DNAnexus Apollo™ accelerates precision drug discovery by unlocking the power of collaboration to draw critical insights from omics data. Precision drug discovery requires collecting and analyzing huge volumes of omics and clinical data. These datasets are incredibly rich resources, but most legacy and home-grown informatics tools can't cope with their size and complexity. Precision medicine programs can also be hampered by siloed data sources, underpowered collaboration tools, and the burden of complex and always changing regulatory and security requirements. DNAnexus Apollo™ supports precision drug discovery programs by empowering scientists and clinicians to explore and analyze omics and clinical data together, in a single environment, built on a robust, scalable cloud platform. Apollo lets them share data, tools, and analyses easily and securely with peers and collaborators everywhere - whether they're on another floor, or another continent. -
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DrugPatentWatch
DrugPatentWatch
Global biopharmaceutical drug patent and generic entry business intelligence. Anticipate future budget requirements and proactively identify generic sources. Assess past successes of patent challengers and elucidate research paths of competitors. Inform portfolio management decisions on future drug development. Predict branded drug patent expiration, identify generic suppliers, and prevent overstock of branded drugs. Obtain formulation and manufacturing information; identify final formulators, repackagers, and relabelled.Starting Price: $250 per month -
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Scitara DLX
Scitara
Scitara DLX™ offers a rapid connectivity infrastructure for any instrument in the life science laboratory in a fully compliant and auditable cloud-based platform. Scitara DLX™ is a universal digital data infrastructure that connects any instrument, resource, app and software in the laboratory. The cloud-based, fully auditable platform connects all data sources across the lab, allowing the free flow of data across multiple end points. This allows scientists to devote their time to scientific research, not waste it solving data issues. DLX curates and corrects data in flight to support the development of accurate, properly structured data models that feed AI and ML systems. This supports a successful digital transformation strategy in the pharma and biopharma industries. Unlocking insights from scientific data enables faster decision-making in drug discovery and development, helping bring drugs to market more quickly. -
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ChemDraw
PerkinElmer
Since 1985 ChemDraw® solutions have provided powerful capabilities and integrations to help you quickly turn ideas and drawings into publications you can be proud of. A chemistry communication suite, ChemOffice+ Cloud transforms your chemical drawings into chemical knowledge by facilitating the management, reporting and presenting of your Chemistry research. ChemOffice+ Cloud, is a robust, comprehensive suite, purpose-built to simplify, facilitate, and accelerate chemistry communication. The cloud-native chemistry communication suite builds on the foundations of ChemDraw Professional and adds access to a powerful set of tools to enable scientific research. The mundane task of creating reports to communicate chemical research has become much more efficient with ChemOffice+ Cloud. With powerful capabilities to search, reuse, select, and organize chemical structures and data, chemists can use ChemOffice+ Cloud to create presentation-ready PowerPoint slides and manuscripts. -
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BenevolentAI
BenevolentAI
BenevolentAI is an AI-enabled drug discovery platform and scientific technology company that unites advanced artificial intelligence, machine learning, and domain-specific science to accelerate the discovery, design, and development of new medicines for complex diseases by making sense of vast, diverse biomedical data and generating actionable scientific insights faster than traditional methods. Its proprietary Benevolent Platform ingests and harmonizes structured and unstructured biomedical information, including literature, genomics, clinical information, and multi-omics data, into a comprehensive knowledge graph, enabling scientists to reason across biological systems, generate hypotheses, predict novel drug targets, and design candidate molecules with higher confidence and lower failure rates. -
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BioSymetrics
BioSymetrics
We integrate clinical and experimental data using machine learning to navigate human disease biology and advance precision medicines. Our patent-pending Contingent AI™ understands relationships within the data to provide sophisticated insights. We address data bias by iterating on machine learning models based upon decisions made in the pre-processing and feature engineering stages. We leverage zebrafish, cellular and other phenotypic animal models to validate in silico predictions in vivo experiments and genetically modify them in vitro and in vivo, to improve translation. Using active learning and computer vision on validated models for cardiac, central nervous system and rare disorders, we rapidly incorporate new data into our machine learning models. -
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Aurora Drug Discovery
Aurora Fine Chemicals
Aurora employs quantum mechanics, thermodynamics, and an advanced continuous water model for solvation effects to calculate ligand´s binding affinities. This approach differs dramatically from scoring functions that are commonly used for binding affinity predictions. By including the entropy and aqueous electrostatic contributions in to the calculations directly, Aurora algorithms produce much more accurate and robust values of binding free energies. Interaction of a ligand with a protein is characterized by the value of binding free energy. The free energy (F) is the thermodynamic quantity that is directly related to experimentally measurable value of inhibition constant (IC50) and depends on electrostatic, quantum, aqueous solvation forces, as well as on statistical properties of interacting molecules. There are two major contributing quantities leading to non-additivity in F: 1) the electrostatic and solvation energy and 2) the entropy. -
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VeraChem
VeraChem
VeraChem LLC was founded in 2000 to advance the state of the art in computer-aided drug discovery and molecular design by developing computational chemistry methods that are based on cutting-edge basic science but are also applicable in applied science research settings. Efficient high-performance software implementations of these methods coupled with comprehensive user support are a central company strategy for product development. Current VeraChem software capabilities include protein-ligand and host-guest binding affinity prediction, fast calculation of accurate partial atomic charges for drug-like compounds, computation of energies and forces with all the commonly used empirical force fields, automatic generation of alternate resonance forms of drug-like compounds, conformational search with the powerful Tork algorithm, and automatic detection of topological and 3D molecular symmetries. VeraChem’s software packages are constructed from a modular code base. -
36
Amazon Neptune
Amazon
Amazon Neptune is a fast, reliable, fully managed graph database service that makes it easy to build and run applications that work with highly connected datasets. The core of Amazon Neptune is a purpose-built, high-performance graph database engine optimized for storing billions of relationships and querying the graph with milliseconds latency. Amazon Neptune supports popular graph models Property Graph and W3C's RDF, and their respective query languages Apache TinkerPop Gremlin and SPARQL, allowing you to easily build queries that efficiently navigate highly connected datasets. Neptune powers graph use cases such as recommendation engines, fraud detection, knowledge graphs, drug discovery, and network security. Proactively detect and investigate IT infrastructure using a layered security approach. Visualize all infrastructure to plan, predict and mitigate risk. Build graph queries for near-real-time identity fraud pattern detection in financial and purchase transactions. -
37
Schrödinger
Schrödinger
Transform drug discovery and materials research with advanced molecular modeling. Our physics-based computational platform integrates differentiated solutions for predictive modeling, data analytics, and collaboration to enable rapid exploration of chemical space. Our platform is deployed by industry leaders worldwide for drug discovery, as well as for materials science in fields as diverse as aerospace, energy, semiconductors, and electronics displays. The platform powers our own drug discovery efforts, from target identification to hit discovery to lead optimization. It also drives our research collaborations to develop novel medicines for critical public health needs. With more than 150 Ph.D. scientists on our team, we invest heavily in R&D. We’ve published over 400 peer-reviewed papers that demonstrate the strength of our physics-based approaches, and we’re continually pushing the limits of computer modeling. -
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Elucidata Polly
Elucidata
Harness the power of biomedical data with Polly. The Polly Platform helps to scale batch jobs, workflows, coding environments and visualization applications. Polly allows resource pooling and provides optimal resource allocation based on your usage requirements and makes use of spot instances whenever possible. All this leads to optimization, efficiency, faster response time and lower costs for the resources. Get access to a dashboard to monitor resource usage and cost real time and minimize overhead of resource management by your IT team. Version control is integral to Polly’s infrastructure. Polly ensures version control for your workflows and analyses through a combination of dockers and interactive notebooks. We have built a mechanism that allows the data, code and the environment co-exist. This coupled with data storage on the cloud and the ability to share projects ensures reproducibility of every analysis you perform. -
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Cytel
Cytel
Cytel is a leading global provider of clinical trial design software, biometric services, and advanced analytics, specializing in optimizing clinical trials and assisting pharmaceutical companies in unlocking the full potential of their clinical and real-world data. Founded in 1987 by distinguished statisticians Cyrus Mehta and Nitin Patel, Cytel has been at the forefront of adaptive clinical trial technology and biostatistical science. Our software solutions, including the East Horizon platform, empower precise trial design and simulation, utilizing adaptive and Bayesian tools to optimize protocols and accelerate drug development. The East Horizon platform integrates key components of Cytel's trusted software portfolio into a unified solution with R integration, enhancing trial design capabilities. Additionally, Cytel offers the Xact software suite, a comprehensive toolkit for statistical analyses of small datasets, and sparse, and missing data. -
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Dotmatics
Dotmatics
Dotmatics is the global leader in R&D scientific software that connects science, data, and decision-making. Combining a workflow and data platform with best-of-breed applications, we offer the first true end-to-end solutions for biology, chemistry, formulations, data management, flow cytometry, and more. Trusted by more than 2 million researchers from the world’s leading biopharma, chemicals and materials enterprises, and academic institutions, we are dedicated to working with the scientific community to help make the world a healthier, cleaner and safer place to live. Learn more about our platform and products, including GraphPad Prism, Geneious, SnapGene, Protein Metrics, LabArchives, and more. -
41
LigPlot+
EMBL-EBI
LigPlot+ is a successor to our original LIGPLOT program for the automatic generation of 2D ligand-protein interaction diagrams. It is run from an intuitive java interface that allows on-screen editing of the plots via mouse click-and-drag operations. In addition to the new interface, the program includes several major enhancements over the old version. When two or more ligand-protein complexes are sufficiently similar, LigPlot+ can automatically display their interaction diagrams either superposed or side by side. Any conserved interactions are highlighted. The LigPlot+ suite also now includes an update of the original DIMPLOT program for plotting protein-protein or domain-domain interactions. Users can flexibly select the interface of interest and DIMPLOT will then generate a diagram showing the residue-residue interactions across the interface. To assist in interpretation, the residues in one of the interfaces can be optionally displayed in sequence order. -
42
alvaDesc
Alvascience
alvaDesc is a cheminformatics software for the calculation and analysis of molecular descriptors, fingerprints, and structural patterns for QSAR, QSPR, read-across, and machine learning applications. It computes more than 5,000 molecular descriptors (0D–3D), including constitutional, topological, geometrical, electronic, physicochemical, and fragment-based descriptors. The software also generates molecular fingerprints and structural pattern counts for similarity analysis, clustering, and classification. Integrated tools support descriptor filtering and correlation analysis for robust and reproducible modeling. alvaDesc integrates seamlessly with KNIME and Python, enabling efficient connection to external data analysis and machine learning workflows. It is widely used in academic and industrial research and supported by extensive documentation and scientific publications. -
43
Genedata Biologics
Genedata
Genedata Biologics® streamlines discovery of biotherapeutics including bispecifics, ADCs, TCRs, CAR-Ts, and AAVs. The most widely adopted platform across the industry, it integrates all discovery workflows so you can focus on true innovation. Accelerate research with a first-in-class platform uniquely designed from the start to digitalize biotherapeutic discovery. The platform facilitates complex R&D processes by designing, tracking, testing, and assessing novel biotherapeutics drugs. It works with any format, from antibodies, bi- or multi-specifics, ADCs, novel scaffolds, and therapeutic proteins, to engineered therapeutic cell lines such as TCRs and CAR-T cells. Acting as a central end-to-end data backbone, Genedata Biologics integrates all R&D processes, from library design and immunizations, selections and panning, molecular biology, screening, protein engineering, expression, purification, and protein analytics, to candidate developability and manufacturability assessments. -
44
BC Platforms
BC Platforms
BC platforms leverages latest science, unique technology capabilities, and strategic partnerships to achieve our mission of revolutionizing drug discovery and personalizing care. Modular, highly configurable platform for integrated healthcare data. Open analytics framework seamlessly combining latest innovative methods, analytics and technology developments in one single platform. Superior security: ISO 27001 certified, GDPR and HIPAA compliance. Complete product portfolio enabling a modern healthcare system to fully embrace personalized medicine. Scalable deployments enabling a robust start as well as large scale healthcare operation. Accelerated translation of research insights into clinical practice with our unique end to end toolbox. We help reduce your risk, enhance your pipeline value and advance your enterprise data strategy by solving the barriers of data access and enabling rapid insight generation. -
45
Metabolon
Metabolon
At Metabolon, we offer the largest Level 1 library in the metabolomics industry. Our proprietary library has been built and curated over 20 years and contains over 5,400 entries. The vast majority of entries in our library are Level 1 attributing approximately 85% (~4,600 entries); however, some are Level 2 (approximately 15% accounting for around 800 entries) due to a lack of commercial standards available to qualify for Level 1. Metabolon delivers accurate, highly actionable insights for our clients’ scientific or clinical inquiries due to our unmatched library breadth and industry-leading annotation confidence levels. Metabolomics applies to a wide range of research, from soil health to food nutrition and preclinical research to clinical trials. Whether you’re searching for trends in a group or refining an individual’s treatment, metabolomics can help you find answers to important questions. -
46
Eidogen-Sertanty Target Informatics Platform (TIP)
Eidogen-Sertanty
Eidogen-Sertanty's Target Informatics Platform (TIP) is the world's first structural informatics system and knowledgebase that enables researchers with the ability to interrogate the druggable genome from a structural perspective. TIP amplifies the rapidly expanding body of experimental protein structure information and transforms structure-based drug discovery from a low-throughput, data-scarce discipline into a high-throughput, data-rich science. Designed to help bridge the knowledge gap between bioinformatics and cheminformatics, TIP supplies drug discovery researchers with a knowledge base of information that is both distinct from and highly complementary to information furnished by existing bio- and cheminformatics platforms. TIP's seamless integration of structural data management technology with unique target-to-lead calculation and analysis capabilities enhances all stages of the discovery pipeline. -
47
Atomwise
Atomwise
We use our AI engine to transform drug discovery. Our discoveries help create better medicines faster. Our AI-enabled discovery portfolio includes wholly-owned and co-developed pipeline assets, and is backed by prominent investors. Atomwise developed a machine-learning-based discovery engine that combines the power of convolutional neural networks with massive chemical libraries to discover new small-molecule medicines. The secret to reinventing drug discovery with AI is people. We are dedicated to developing the best AI platform and using it to transform small molecule drug discovery. We have to tackle the most challenging, seemingly impossible targets and streamline the drug discovery process to give drug developers more shots on goal. Computational efficiency enables screening of trillions of compounds in silico, increasing the likelihood of success. Demonstrated exquisite model accuracy, overcoming the challenge of false positives. -
48
FCS Express
De Novo Software
FCS Express™ gets you from raw data to easily-understandable, beautifully formatted, presentation-ready results more easily and in less time than any other flow cytometry software. If you've ever had to copy and paste tables of data into a more user-friendly software just to get your data into a visual format that looked good and was comprehensible. If you’ve ever had to manage your data across multiple software packages - your flow cytometry software as well as something like Microsoft Excel™ or GraphPad Prism™ because you couldn’t get everything you needed in one place. Learning how to use flow cytometry software should not be an impediment to getting results from your data. FCS Express is designed to look, feel, and work like many familiar Microsoft Office™ programs so you are already halfway to being an expert with the software before you even get started.Starting Price: $53 per month -
49
CDD Vault
Collaborative Drug Discovery
With CDD Vault, you can intuitively organize chemical structures and biological study data, and collaborate with internal or external partners through an easy to use web interface. Start your free trial and see first hand how easy it is to manage drug discovery data. Tailored for you Affordable Scales with your project team(s) Activity & Registration * Electronic Lab Notebook (ELN) * Visualization * Inventory * APIs * Secure Online Hosting -
50
metaphactory
metaphacts
metaphactory transforms your data into consumable, contextual & actionable knowledge and drives continuous decision intelligence. Out-of-the-box, intuitive interfaces for searching, browsing & exploring your Knowledge Graph. Low-code approach to building custom interfaces that enable business-user interaction with the Knowledge Graph. Start small, iterate often & add new use cases, new data and new users on the fly. Agile knowledge management & low-code platform for building applications.
