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Molecular Discovery
Molecular Discovery Ltd is a software company working in the area of drug discovery. Founded in 1984 by Peter Goodford, its aim was to provide the GRID[1] software to scientists working in the field of Drug Design, and enabled one of the first examples of rational drug design[2] with the discovery of Zanamivir in 1989. In combination with statistical methods such as GOLPE, GRID's method of modeling molecular interaction (known as a "forcefield") can also be used to perform 3D-QSAR. In the last decade, the GRID forcefield has been applied to other areas of drug discovery, including virtual screening, scaffold-hopping, ADME and pharmacokinetic modelling, optimisation of metabolic stability and metabolite prediction, as well as pKa and tautomer modelling. Molecular Discovery manages a Cytochrome P450 Consortium aimed at generating a large set of homogeneous experimental data for human metabolism, allowing the development of predictive in silico models.[3] Products
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