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

DOI10.1007/S10910-008-9491-3zbMath1196.92060OpenAlexW2033572189MaRDI QIDQ1037499

Alla P. Toropova, Emilio Benfenati, Andrey A. Toropov

Publication date: 16 November 2009

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10910-008-9491-3

zbMATH Keywords

QSPRSMILESInChIoctanol/water partition coefficientplatinum complexes

Mathematics Subject Classification ID

Monte Carlo methods (65C05) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Uses Software

• ACD/ChemSketch

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