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An integrated suite of modeling tools that empower scientists in structure- and property-based drug design.

Jianwen A. FengIgnacio AliagasPhilippe BergeronJeffrey M. BlaneyErin K. BradleyMichael F. T. KoehlerMan-Ling LeeDaniel F. OrtwineVickie TsuiJohnny WuAlberto Gobbi
Published in: J. Comput. Aided Mol. Des. (2015)
Keyphrases
  • drug design
  • feature selection
  • early stage
  • structural properties
  • drug discovery
  • computational tools