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ADME Evaluation in Drug Discovery. 2. Prediction of Partition Coefficient by Atom-Additive Approach Based on Atom-Weighted Solvent Accessible Surface Areas.

Tingjun HouXiaojie Xu
Published in: J. Chem. Inf. Comput. Sci. (2003)
Keyphrases
  • drug discovery
  • van der waals
  • drug design
  • subcellular localization
  • chemical compounds
  • pharmaceutical industry
  • pattern mining
  • virtual screening