QSPR/QSAR: State-of-Art, Weirdness, the Future

by Andrey A. Toropov, Alla P. Toropova
Published 2020-03-01

Special Issue on Flexible Molecular Descriptors

by Eduardo A. Castro, Andrey A. Toropov
Published 2004-12-01

Graph of atomic orbitals and the molecular structure-descriptors based on it

by ANDREY A. TOROPOV, IVAN GUTMAN, BORIS FURTULA
Published 2005-04-01

Additive SMILES-Based Carcinogenicity Models: Probabilistic Principles in the Search for Robust Predictions

by Emilio Benfenati, Andrey A. Toropov, Alla P. Toropova
Published 2009-07-01

Structure–Toxicity Relationships for Aliphatic Compounds Based on Correlation Weighting of Local Graph Invariants

by Eduardo A. Castro, Pablo Duchowicz, Andrey A. Toropov
Published 2003-04-01

CORAL: Building up QSAR models for the chromosome aberration test

by Andrey A. Toropov, Alla P. Toropova, Giuseppa Raitano, Emilio Benfenati
Published 2019-09-01

Towards the Development of Global Nano-Quantitative Structure–Property Relationship Models: Zeta Potentials of Metal Oxide Nanoparticles

by Andrey A. Toropov, Natalia Sizochenko, Alla P. Toropova, Jerzy Leszczynski
Published 2018-04-01

Maximum Topological Distances Based Indices as Molecular Descriptors for QSPR. 4. Modeling the Enthalpy of Formation of Hydrocarbons from Elements

by Andrey A. Toropov, Eduardo A. Castro, Andrés Mercader
Published 2001-06-01

Improved Molecular Descriptors Based on the Optimization of Correlation Weights of Local Graph Invariants

by Andrey A. Toropov, Eduardo A. Castro, Germán Krenkel
Published 2001-05-01

An Improved QSPR Modeling of Hydrocarbon Dipole Moments

by Igor V. Nesterov, Andrey A. Toropov, Pablo R. Duchowicz, Eduardo A. Castro
Published 2004-01-01

QSPR Calculation of Normal Boiling Points of Organic Molecules Based on the Use of Correlation Weighting of Atomic Orbitals with Extended Connectivity of Zero- and First-Order Grap...

by Eduardo A. Castro, Pablo R. Duchowicz, Andrey A. Toropov, Maykel Pérez González
Published 2004-12-01