Best Chemical Software for Mid Size Business - Page 4

Calculate drug toxicity and safety endpoints to reduce attrition rates of molecular entities that are unlikely to succeed to nomination as a drug candidate, direct new compound synthesis, and focus animal testing requirements.

Elucidate complex structures from experimental data with the help of expert algorithms.

Multi-technique, vendor-neutral analytical data processing. Analyze and report NMR, LC/MS, GC/MS, HPLC, IR, Raman, DSC, TGA data, and more in one common interface. Extract results quickly and efficiently with built-in tools to assist with processing and interpretation. Search in-house or commercial spectral libraries. Available as a desktop or browser-based application.

Process and analyze NMR and xC/UV/MS data from any web browser on Mac and Windows. Access a complete set of intuitive processing tools when and where it's convenient for you.

Calculate physicochemical properties such as aqueous solubility, boiling point, logD, logP, pKa, Sigma, and other molecular descriptors for organic compounds, from chemical structure.

Process, analyze and assemble all your 1D and 2D NMR data. ACD/NMR Workbook Suite is a comprehensive NMR software application. It features a full suite of advanced processing, analysis, and databasing functionalities for 1D and 2D NMR data from all major vendor formats. Process and analyze NMR data easily with synchronized peak picking and assignment across datasets. Reliably verify chemical structures. Quantify and analyze mixtures. Create comprehensive reports and publication-ready data. Share, manage, and store live NMR spectra linked with structures.

Predict 1D and 2D NMR spectra from structures. From experimental design to data interpretation, NMR predictors can significantly speed up your workflow. Use this software to: - Predict a complete set of 1D and 2D NMR spectra, for 1H, 13C, 15N, 19F, and 31P nuclei from a chemical structure - Calculate chemical shifts and coupling constants in seconds - Train the algorithms with in-house data to improve accuracy for novel chemical space

Generate chemical names for structures and produce structures from names according to IUPAC rules. Easily handles challenging areas of nomenclature, and translates chemical names into over 20 languages.

One software for all your mass spectral data analysis and management. Quickly detect, distinguish, identify, and characterize components. ACD/MS Workbook Suite is an all-in-one package for MS data handling. Process MS, LC/MS, and GC/MS data acquired with instruments from any major vendor. Auto-annotate peaks and associate them with compound structures. Identify unknowns by deconvoluting spectra and searching databases for spectral matches. Create easily shareable and searchable spectral databases.

Characterize samples and identify unknown components. One software solution for identifying compounds, processing data, and sharing your knowledge.

Rules-based fragment prediction for mass spectrometry. Have more confidence in your compound IDs, learn about fragmentation mechanisms, and publish your results easily.

Develop chromatographic methods faster, optimize key separation parameters, define better starting points, and make every experiment count. A prediction and optimization software for LC and GC method development using QbD principles.

Comprehensive metabolite identification software, with a single interface for prediction, data analysis, and knowledge dashboards to make data-driven decisions easier.

Comprehensive molecular structure drawing and naming. Draw chemical structures and communicate your science.

Store & Share Live Analytical Data from Any Technique and Data Format. ACD/ChemAnalytical Workbook helps you centralize your analytical data. Manage data from different techniques and formats, all in one application. Create a database of analytical data—LC/MS, GC/MS, 1D & 2D NMR, UV, IR, and more. Import, process, and interpret analytical data from all major instrument vendor formats. Connect structure(s) and interpretation information with spectra and chromatograms. Search the database using a variety of spectral, structural, textual, and numerical criteria. Report all sample characterization results from one software interface.

Method development software for the chromatography expert. AutoChrom helps experts develop chromatographic separations using QbD principles. It uses a workflow-based structure to streamline and track a project.

Chemical companies are witnessing transformational shifts in their business landscape with margin pressures, changes in how their customers want to use and pay for their products, and the need for strategic agility to shrink cycle/lead times in response to market dynamics. In the Chemical industry, only frictionless processes, 100% plant availability, and maximum reliability can ensure competitiveness. As a leading SAP Partner, YASH’s SAP Centre of Excellence leverages technology and flexible business models to drive innovation and value throughout your chemical enterprise. Optimize the entire process from procurement, manufacturing to sales, distribution and financial accounting. Provides access to a seamless and safe transaction procedure. Pre-built apps and build custom reports that comply with statutory and regulatory norms. Monitor formulae in real-time to account for input variability and reduce control cost.