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Lista de obras de Vitaly Solov'ev

"In silico" design of new uranyl extractants based on phosphoryl-containing podands: QSPR studies, generation and screening of virtual combinatorial library, and experimental tests.

artículo científico publicado en 2004

"In silico" design of potential anti-HIV actives using fragment descriptors.

artículo científico publicado en 2005

Anti-HIV activity of HEPT, TIBO, and cyclic urea derivatives: structure-property studies, focused combinatorial library generation, and hits selection using substructural molecular fragments method.

artículo científico publicado en 2003

Assessment of the macrocyclic effect for the complexation of crown-ethers with alkali cations using the Substructural Molecular Fragments method.

artículo científico publicado en 2002

Benchmarking of linear and nonlinear approaches for quantitative structure-property relationship studies of metal complexation with ionophores

artículo científico publicado en 2006

Classification of Metal Binders by Naïve Bayes Classifier on the Base of Molecular Fragment Descriptors and Ensemble Modeling

scientific article published on 10 April 2019

Computer-aided design of new metal binders

artículo científico publicado en 2008

Conformation of 18-Crown-5 and Its Influence on Complexation with Alkali and Ammonium Cations: Why 18-Crown-5 Binds More Than 1000 Times Weaker Than 18C6.

artículo científico publicado en 1996

Determination of successive complexation constants in an ionic liquid: complexation of UO(2)(2+) with NO(3)(-) in C(4)-mimTf(2)N studied by UV-Vis spectroscopy.

artículo científico publicado en 2010

Exhaustive QSPR studies of a large diverse set of ionic liquids: how accurately can we predict melting points?

artículo científico publicado en 2007

ISIDA - Platform for Virtual Screening Based on Fragment and Pharmacophoric Descriptors

artículo científico publicado en 2008

Individual Hydrogen-Bond Strength QSPR Modelling with ISIDA Local Descriptors: a Step Towards Polyfunctional Molecules

artículo científico publicado en 2014

Interpretability of SAR/QSAR Models of any Complexity by Atomic Contributions

artículo científico publicado en 2012

Mining Chemical Reactions Using Neighborhood Behavior and Condensed Graphs of Reactions Approaches

artículo científico publicado en 2012

Modeling of ion complexation and extraction using substructural molecular fragments

artículo científico publicado en 2000

Predictive Models for Halogen-bond Basicity of Binding Sites of Polyfunctional Molecules

artículo científico publicado en 2015

Predictive Models for the Free Energy of Hydrogen Bonded Complexes with Single and Cooperative Hydrogen Bonds

artículo científico publicado en 2016

Predictive cartography of metal binders using generative topographic mapping

artículo científico publicado en 2017

QSPR ensemble modelling of the 1:1 and 1:2 complexation of Co²⁺, Ni²⁺, and Cu²⁺ with organic ligands: relationships between stability constants

artículo científico publicado en 2014

Skin permeation rate as a function of chemical structure

artículo científico publicado en 2006

Stochastic versus stepwise strategies for quantitative structure-activity relationship generation--how much effort may the mining for successful QSAR models take?

artículo científico publicado en 2007

Substructural fragments: an universal language to encode reactions, molecular and supramolecular structures

artículo científico publicado en 2005

Successful “In Silico” Design of New Efficient Uranyl Binders

artículo científico publicado en 2007

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