![]() It is integrated with MedChem Designer and ADMET Predictor. Cheminformatics platform supporting lead identification and prioritization, de novo design, scaffold hopping and lead optimization. Performs 2D and 3D QSAR, and provides GQSAR, a group based QSAR approach establishing a correlation of chemical group variation at different molecular sites of interest with the biological activity. QSAR software for evaluation of several molecular descriptors along with facility to build the QSAR equation (linear or non-linear regression) and use it for predicting the activities of test/new set of molecules. 3D QSAR tool that automates the creation of models for predicting the biological activity or properties of compounds. Program for calculating log Poct/water from structure. It include PD and PK parameters and can be linked to other modules for physicochemical and ADME. Program for interactive, visual compound promotion and optimization. A regression program that has dual databases of over 21,000 QSAR models. Ambit Danish QSAR database Toxtree Toxmatch JRC QSAR Model Database DART OECD QSAR Application Toolbox AIM OncoLogic® ECOSAR EPI Suite
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