Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties-Reference-Cited by-同舟云学术

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

Published:2000-09-19 Issue:20 Volume:43 Page:3714-3717
ISSN:0022-2623
Container-title:Journal of Medicinal Chemistry
language:en
Short-container-title:J. Med. Chem.

Author:

Ertl Peter¹,Rohde Bernhard¹,Selzer Paul¹

Affiliation:

1. Cheminformatics, Novartis Pharma AG, WKL-490.4.35, CH-4002 Basel, Switzerland

Publisher

American Chemical Society (ACS)

Subject

Drug Discovery,Molecular Medicine

Link

https://pubs.acs.org/doi/pdf/10.1021/jm000942e

Reference21 articles.

1. Chemoinformatics – predicting the physicochemical properties of 'drug-like' molecules

2. Computational methods for the prediction of ‘drug-likeness’

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