ADME Suite

Percepta offers calculation of a variety of physicochemical (PhysChem) properties, ADME properties, and toxicity endpoints. Easily evaluate results from physicochemical, ADME, and toxicity calculators—each module offers prediction—specific information and tools such as structure highlighting and calculation protocols. Powerful graphing, sorting, and filtering tools further aid evaluation of predicted results. Use reliability index, probability and/or similar structures from the training set to assess confidence in the predicted result and relevance to your current project. Apply calculated molecular property data to investigate structural modification/lead optimization to reach the target product profile (absorption, distribution, metabolism, excretion). Train with experimental data—better reflect proprietary chemical space and improve prediction accuracy using inbuilt machine learning capabilities.

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.