QSAR analysis of 1,4-dihydro-4-oxo-1-(2-thiazolyl)-1,8-naphthyridines exhibiting anticancer activity by optimal SMILES-based descriptors

DOI10.1007/s10910-009-9593-6zbMath1200.92017OpenAlexW2070184073MaRDI QIDQ848189

Emilio Benfenati, Andrey A. Toropov, Jerzy Leszczynski, Danuta Leszczynska, Alla P. Toropova

Publication date: 2 March 2010

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

Full work available at URL: https://doi.org/10.1007/s10910-009-9593-6

zbMATH Keywords

QSARoptimal descriptorSMILESanticancer activity

Mathematics Subject Classification ID

Applications of graph theory (05C90) Medical applications (general) (92C50) Biochemistry, molecular biology (92C40)

Uses Software

• ACD/ChemSketch

Cites Work

• 3D-chiral (2.5) atom-based TOMOCOMD-CARDD descriptors: theory and QSAR applications to central chirality codification
• QSPR modeling of the half-wave potentials of benzoxazines by optimal descriptors calculated with the SMILES

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