SMILES as an alternative to the graph in QSAR modelling of bee toxicity

DOI10.1016/j.compbiolchem.2007.01.003zbMath1124.62086OpenAlexW2013981606WikidataQ46911283 ScholiaQ46911283MaRDI QIDQ2373281

Emilio Benfenati, Andrey A. Toropov

Publication date: 17 July 2007

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

Full work available at URL: https://doi.org/10.1016/j.compbiolchem.2007.01.003

zbMATH Keywords

QSARSMILESBee toxicityMolecular descriptorsOptimal descriptors

Mathematics Subject Classification ID

Applications of statistics to environmental and related topics (62P12) Medical applications (general) (92C50) Biochemistry, molecular biology (92C40) Computational methods for problems pertaining to biology (92-08)

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