Additive InChI-based optimal descriptors: QSPR modeling of fullerene \(\text C_{60}\) solubility in organic solvents

DOI10.1007/S10910-008-9514-0zbMath1197.92057OpenAlexW2140474474MaRDI QIDQ1037517

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

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/s10910-008-9514-0

zbMATH Keywords

QSPR InChI fullerene \(\text C_{60}\) solubility

Mathematics Subject Classification ID

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

Uses Software

ACD/ChemSketch

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