A graph-theoretic approach to predicting molecular properties

DOI10.1016/0895-7177(90)90235-FzbMATH Open0727.92032OpenAlexW2013842271MaRDI QIDQ804522FDOQ804522

Authors: Subhash C. Basak, Gerald J. Niemi, Gilman D. Veith 

Publication date: 1990

Published in: Mathematical and Computer Modelling (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/0895-7177(90)90235-f

zbMATH Keywords

SARtopological indicesconnectivity indicesgraph invariantsinformation-theoretic indiceslipophilicitystructure-activity relationship

Mathematics Subject Classification ID

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

Cites Work

• A Mathematical Theory of Communication
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