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- Title
<sup>195</sup>Pt NMR parameters as strong descriptors in one-parameter QSAR models for platinum-based antitumor compounds.
- Authors
Tsipis, Athanassios C.; Karapetsas, Ioannis N.
- Abstract
Highly predictive one-parameter quantitative structure-activity relationship models have been developed for platinum-based anticancer drugs using the 195Pt NMR parameters as strong descriptors. The developed quantitative structure-activity relationship models were applied in diverse homogeneous sets of antiproliferative Pt(II) and Pt(IV) compounds. These observations form the basis for making predictions of cytotoxicity for a broad range of platinum-based antitumor compounds just from inspection of calculated or experimentally determined 195Pt NMR parameters. Copyright © 2016 John Wiley & Sons, Ltd.
- Subjects
PLATINUM isotopes; QSAR models; ANTINEOPLASTIC agents; NUCLEAR magnetic resonance; PARAMETER estimation; PHOTOACTIVATION
- Publication
Magnetic Resonance in Chemistry, 2017, Vol 55, Issue 7, p662
- ISSN
0749-1581
- Publication type
Article
- DOI
10.1002/mrc.4570