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GRID -
GRID enables rational or structure-based design, and in combination with statistical tools such as GOLPE allows quantitative 3D QSAR predictions, providing new ideas in lead optimization. The GRID for...
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MetaSite - Metabolism prediction
MetaSite predicts the most likely metabolic hotspots (or soft spots) in potential drugs, enabling researchers to optimize metabolic stability through direct or indirect approaches. Metabolite and rete...
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Molecular Discovery Ltd.
Molecular Discovery are experts in applying GRID Molecular Interaction Fields to Drug Discovery problems, as well as using chemometric or statistical methods to relate chemical structure to biological...
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MoKa - pKa modelling
MoKa enables researchers to predict the pKa of ionisable sites, calculate the logP and logD of a compound, and evaluate the most stable tautomer. MoKa has been trained on over 26,000 data points and a...
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VolSurf+ - ADME and Pharmacokinetic modeling
VolSurf+ enables researchers to build ADME and pharmacokinetic models, or use the range of models provided (blood-brain barrier permeation, caco2 permeation, solubility, volume of distribution, protei...