QSPR modeling of octanol water partition coefficient of platinum complexes by InChI-based optimal descriptors

QSPR modeling of octanol water partition coefficient of platinum complexes by InChI-based optimal descriptors
Authored by:
A. A. Toropov
A. P. Toropova
E. Benfenati

Abstract

Comparison of the quantitative structure—property relationships (QSPR) based on optimal descriptors calculated with the International Chemical Identifier (InChI) and QSPR based on optimal descriptors calculated with simplified molecular input line entry system has shown that the InChI-based optimal descriptors give more accurate prediction for the logarithm of octanol/water partition coefficient of platinum complexes.

Information
Content Type Non OER
Uploaded By Andrew Cornell
DOI https://doi.org/10.1007/s10910-008-9491-3
License Copyright © Springer Science+Business Media, LLC 2008
Content Status publish
Number of Comments No Comments
Date Published November 18, 2008
Content Tags Audience, Content type, Document, English, File Type, Graduate, HTML, Language, PDF, Publication, Researcher