ACD/Percepta's powerful platform leverages the strengths of two in-silico leaders bringing together physicochemical, ADME, and toxicity predictions into one platform.
The platform supports two prediction components with an option for structure design—Profilers and Predictors—each granting different levels of access to structure-based predictions, in silico tools, and user data through specialized interfaces.
The unique spreadsheet view interface in both Profilers and Predictors provides access to structure-based property predictions and data for hundreds of compounds. Filtering tools and color-coded indications permit users to easily view predicted results that fall within user-adjustable thresholds. Batch options for desktop are also available to simultaneously predict values across larger sets of compounds.
The familiar prediction module view has been improved and is available as one of the dual-mode interfaces in Predictors. A new graphical plotting representation for pKa provides users with both an interactive plot and table for % ionic species, protonation states, and ionogenic group states at any given pH. Get a closer look at the calculation protocol for a prediction and see related information including structural, experimental, and user data. Reliability index scores that indicate the dependability of the prediction are available for some of the modules.
The combined predictive capabilities of PhysChem, ADME, and Toxicity properties, together with structure design capabilities, offer users greater control over the structure-property outcomes. Optimize lead compounds by modifying structures or use the substituents suggested by the software to identify analogs that display the right balance of reduced liabilities and desirable characteristics.
Users have the capability to further increase the accuracy of predictions by training the fully powered prediction models using in-house experimental data.
Create compelling reports and publications with state-of-the-art structure drawing and reporting capabilities. Easily copy and paste structures, experimental data, and predictions to Excel, Word, and Powerpoint. With a simple click of a button, you can quickly export numerous structures and relevant information to sdf, rdf, txt, and cvs formats.
The ACD/Labs and Pharma Algorithms merger in 2009 resulted in the development of a consensus model for logP and logD that brings together both models, offering users another level of predictive capabilities.
Questions? Email us directly for more information or to request a demo.