QSAR modeling of measured binding affinity for fullerene-based HIV-1 PR inhibitors by CORAL

DOI10.1007/s10910-010-9719-xzbMath1200.92018OpenAlexW2102548672MaRDI QIDQ607589

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

Publication date: 22 November 2010

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

Full work available at URL: https://doi.org/10.1007/s10910-010-9719-x

zbMATH Keywords

QSARfullerenebalance of correlationsHIV-1 PRoptimal descriptorSMILES

Mathematics Subject Classification ID

Biochemistry, molecular biology (92C40) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10) Software, source code, etc. for problems pertaining to biology (92-04)

Related Items

Predicting specific surface areas of layered double hydroxides based on support vector regression integrated with a residual bootstrapping method

Uses Software

• CORAL
• ACD/ChemSketch

Cites Work

• SMILES as an alternative to the graph in QSAR modelling of bee toxicity
• Predicting water solubility and octanol water partition coefficient for carbon nanotubes based on the chiral vector