QSPR modeling of the half-wave potentials of benzoxazines by optimal descriptors calculated with the SMILES

DOI10.1016/J.COMPBIOLCHEM.2006.09.003MaRDI QIDQ884277zbMATH OpenOpenAlexWikidataFDO

Authors Andrey A. Toropov, Karel Nesmerak, Ivan jun. Raska, Karel Waisser, Karel Palat

Publication date 13 June 2007

Published in Computational Biology and Chemistry (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/j.compbiolchem.2006.09.003

zbMATH Keywords

Half-wave potential of benzoxazinesOptimal descriptorQSPRSMILES

Mathematics Subject Classification ID

Biochemistry, molecular biology (92C40) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10) Chemistry (92E99)

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