There is widespread understanding and acceptance that 3D structure and related properties (shape & electrostatics) are key to understanding absolute and relative compound activities; however, there is a relative dearth of successful examples where 3D properties of molecules have been successfully rendered and handled in an environment which is amenable to widespread use in medicinal chemistry. We present examples of tools which have a proven track record in the hands of medicinal chemists, and which have been used to enhance compound design, strengthen IP positions and improve discovery project success rates

Computation tools for medicinal chemists: Increasing the dimensions of drug discovery

244th National Meeting (2012)

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