Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties

Journal of Medicinal Chemistry - Tập 43 Số 20 - Trang 3714-3717 - 2000
Peter Ertl1, Bernhard Rohde1, Paul M. Selzer1
1Cheminformatics, Novartis Pharma AG, WKL-490.4.35, CH-4002 Basel, Switzerland

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