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Journal of Computer-Aided Molecular Design|November 18, 2005
Substructural fragments: an universal language to encode reactions, molecular and supramolecular structuresA Varnek, D Fourches, F Hoonakker, et al.Journal of Chemical Information and Computer Sciences|September 23, 2003
Anti-HIV activity of HEPT, TIBO, and cyclic urea derivatives: structure-property studies, focused combinatorial library generation, and hits selection using substructural molecular fragments methodV P Solov'ev, A VarnekCombinatorial Chemistry & High Throughput Screening|August 17, 2005
"In silico" design of potential anti-HIV actives using fragment descriptorsA Varnek, V P Solov'evJournal of Chemical Information and Computer Sciences|July 27, 2004
"In silico" design of new uranyl extractants based on phosphoryl-containing podands: QSPR studies, generation and screening of virtual combinatorial library, and experimental testsA Varnek, D Fourches, V P Solov'ev, et al.Journal of Chemical Information and Computer Sciences|July 23, 2002
Assessment of the macrocyclic effect for the complexation of crown-ethers with alkali cations using the Substructural Molecular Fragments methodA Varnek, G Wipff, V P Solov'ev, et al.Molecular Informatics|September 14, 2017
Neighboring Structure Visualization on a Grid-based LayoutG Marcou, D Horvath, A VarnekJournal of Computer-Aided Molecular Design|August 22, 2013
Estimation of the size of drug-like chemical space based on GDB-17 dataP G Polishchuk, T I Madzhidov, A VarnekThe Journal of Physical Chemistry. B|December 15, 2010
In silico design of new ionic liquids based on quantitative structure-property relationship models of ionic liquid viscosityI Billard, G Marcou, A Ouadi, et al.Scientific Data|March 19, 2024
Will we ever be able to accurately predict solubility?P Llompart, C Minoletti, S Baybekov, et al.Molecular Informatics|August 5, 2016
GTM-Based QSAR Models and Their Applicability DomainsH A Gaspar, I I Baskin, G Marcou, et al.Pageof 3