QSPR modelling of the octanol/water partition coefficient of organometallic substances by optimal SMILES-based descriptors

by Toropov Andrey, Toropova Alla, Benfenati Emilio
Published 2009-12-01

QSAR modelling toxicity toward rats of inorganic substances by means of CORAL

by Toropova Alla, Toropov Andrey, Benfenati Emilio, Gini Giuseppina
Published 2011-02-01

Analysis of the co-evolutions of correlations as a tool for QSAR-modeling of carcinogenicity: an unexpected good prediction based on a model that seems untrustworthy

by Toropova Alla, Toropov Andrey, Diaza Rodolfo, Benfenati Emilio, Gini Guesippina
Published 2011-02-01

Development of QSAR models for predicting anti-HIV-1 activity using the Monte Carlo method

by Toropov Andrey, Toropova Alla, Raska Ivan, Benfenati Emilio, Gini Giuseppina
Published 2013-03-01

Monte Carlo Method Based QSAR Modeling of Coumarin Derivates as Potent HIV‐1 Integrase Inhibitors and Molecular Docking Studies of Selected 4‐phenyl Hydroxycoumarins

by Veselinović Jovana, Veselinović Aleksandar, Toropov Andrey, Toropova Alla, Damnjanović Ivana, Nikolić Goran
Published 2014-06-01

QSAR modeling of anxiolytic activity taking into account the presence of keto- and enol-tautomers by balance of correlations with ideal slopes

by Toropova Alla., Toropov Andrey, Benfenati Emilio, Gini Giuseppina, Leszczynska Danuta, Leszczynski Jerzy
Published 2011-10-01

CORAL: the prediction of biodegradation of organic compounds with optimal SMILES-based descriptors

by Toropov Andrey, Toropova Alla, Lombardo Anna, Roncaglioni Alessandra, Brita Nicoletta, Stella Giovanni, Benfenati Emilio
Published 2012-08-01