A powerful platform that delivers reliable in-silico predictors for physicochemical properties, ADME characteristics, and toxicity endpoints in one seamless environment. Whether you are an expert working in isolation or seeking an organization-wide implementation, ACD/Percepta is available as a flexible desktop or enterprise solution.
Three Flexible and Powerful Prediction Components
Profilers: Screen and profile compounds
Quickly prioritize compounds using physicochemical, ADME, and toxicity predictions. Selecting compounds of interest has never been easier with colour-coded indications that rank predictions according to user-defined thresholds for specific criteria.
Predictors: Evaluate Structure-Property Relationships
Advanced prediction tools give users the ability to interactively adjust parameters for given properties and interpret quantitative predictions with supplemented probability values, reliability indexes, and similar structures. Determine structural contribution effects to the overall property predictions with color-coded atoms or highlighted substructures. Improve the accuracy of predictions by simply training the models with in-house experimental data.
Structure Design: Optimize Lead Compounds
Interactively optimize lead compounds using specialized structure-based tools to adjust drug properties by PhysChem, ADME, and toxicity parameters. Easily add or modify substituents of scaffold structures to improve permeability, adjust pKa or reduce potential toxic liabilities. Focus design efforts on safe and efficacious drugs, avoiding harmful ones early.