Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties
Year: 2000
Type: article
Source: Journal of Medicinal Chemistry
DOI: 10.1021/jm000942e
Authors: Peter Ertl, Bernhard Rohde, Paul Selzer
Institution: Novartis (Switzerland)
Language: English
Subfield: Computational Theory and Mathematics
Field: Computer Science
Domain: Physical Sciences
Open Access status: closed
OpenAlex ID: W2033495141