Alexey V. Zakharov

According to our database, Alexey V. Zakharov authored at least 17 papers between 2007 and 2025.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of three.

2025

One size does not fit all: revising traditional paradigms for assessing accuracy of QSAR models used for virtual screening.

James Wellnitz, Sankalp Jain, Joshua E. Hochuli, Travis Maxfield, Eugene N. Muratov, Alexander Tropsha, Alexey V. Zakharov

J. Cheminformatics, December, 2025

2021

Deep learning identifies synergistic drug combinations for treating COVID-19.

Wengong Jin, Jonathan M. Stokes, Richard T. Eastman, Zina Itkin, Alexey V. Zakharov, James J. Collins, Tommi S. Jaakkola, Regina Barzilay

Proc. Natl. Acad. Sci. USA, 2021

Large-Scale Modeling of Multispecies Acute Toxicity End Points Using Consensus of Multitask Deep Learning Methods.

Sankalp Jain, Vishal B. Siramshetty, Vinicius M. Alves, Eugene N. Muratov, Nicole C. Kleinstreuer, Alexander Tropsha, Marc C. Nicklaus, Anton Simeonov, Alexey V. Zakharov

J. Chem. Inf. Model., 2021

2020

Critical Assessment of Artificial Intelligence Methods for Prediction of hERG Channel Inhibition in the "Big Data" Era.

Vishal B. Siramshetty, Dac-Trung Nguyen, Natalia J. Martinez, Noel Southall, Anton Simeonov, Alexey V. Zakharov

J. Chem. Inf. Model., 2020

SCAM Detective: Accurate Predictor of Small, Colloidally Aggregating Molecules.

Vinicius M. Alves, Stephen J. Capuzzi, Rodolpho C. Braga, Daniel Robert Korn, Joshua E. Hochuli, Kyle H. Bowler, Adam Yasgar, Ganesha Rai, Anton Simeonov, Eugene N. Muratov, Alexey V. Zakharov, Alexander Tropsha

J. Chem. Inf. Model., 2020

Predicting liver cytosol stability of small molecules.

Pranav Shah, Vishal B. Siramshetty, Alexey V. Zakharov, Noel Southall, Xin Xu, Dac-Trung Nguyen

J. Cheminformatics, 2020

2019

Novel Consensus Architecture To Improve Performance of Large-Scale Multitask Deep Learning QSAR Models.

Alexey V. Zakharov, Tongan Zhao, Dac-Trung Nguyen, Tyler Peryea, Timothy Sheils, Adam Yasgar, Ruili Huang, Noel Southall, Anton Simeonov

J. Chem. Inf. Model., 2019

Rational Use of Heterogeneous Data in Quantitative Structure-Activity Relationship (QSAR) Modeling of Cyclooxygenase/Lipoxygenase Inhibitors.

Alexey Lagunin, Athina Geronikaki, Phaedra Eleftheriou, Pavel V. Pogodin, Alexey V. Zakharov

J. Chem. Inf. Model., 2019

2015

QSAR Modeling Using Large-Scale Databases: Case Study for HIV-1 Reverse Transcriptase Inhibitors.

Olga A. Tarasova, Aleksandra F. Urusova, Dmitry Filimonov, Marc C. Nicklaus, Alexey V. Zakharov, Vladimir Poroikov

J. Chem. Inf. Model., 2015

2014

A New Approach to Radial Basis Function Approximation and Its Application to QSAR.

Alexey V. Zakharov, Megan L. Peach, Markus Sitzmann, Marc C. Nicklaus

J. Chem. Inf. Model., 2014

QSAR Modeling of Imbalanced High-Throughput Screening Data in PubChem.

Alexey V. Zakharov, Megan L. Peach, Markus Sitzmann, Marc C. Nicklaus

J. Chem. Inf. Model., 2014

2013

A static analysis approach to data race detection in SystemC designs.

Mikhail J. Moiseev, Mikhail Glukhikh, Alexey V. Zakharov, Harald Richter

Proceedings of the 16th IEEE International Symposium on Design and Diagnostics of Electronic Circuits & Systems, 2013

2012

Automatic data race detection in SystemC models.

Alexey V. Zakharov, Mikhail J. Moiseev

Autom. Control. Comput. Sci., 2012

2011

Static analysis method for deadlock detection in SystemC designs.

Mikhail J. Moiseev, Alexey V. Zakharov, Ilya Klotchkov, Sergey I. Salishev

Proceedings of the 2011 International Symposium on System on Chip, 2011

2010

Collaborative development of predictive toxicology applications.

Barry J. Hardy, Nicki Douglas, Christoph Helma, Micha Rautenberg, Nina Jeliazkova, Vedrin Jeliazkov, Ivelina Nikolova, Romualdo Benigni, Olga Tcheremenskaia, Stefan Kramer, Tobias Girschick, Fabian Buchwald, Jörg Wicker, Andreas Karwath, Martin Gütlein, Andreas Maunz, Haralambos Sarimveis, Georgia Melagraki, Antreas Afantitis, Pantelis Sopasakis, David Gallagher, Vladimir Poroikov, Dmitry Filimonov, Alexey V. Zakharov, Alexey Lagunin, Tatyana Gloriozova, Sergey Novikov, Natalia Skvortsova, Dmitry S. Druzhilovskiy, Sunil Chawla, Indira Ghosh, Surajit Ray, Hitesh Patel, Sylvia Escher

J. Cheminformatics, 2010

Functional classification of proteins based on projection of amino acid sequences: application for prediction of protein kinase substrates.

Boris Sobolev, Dmitry Filimonov, Alexey Lagunin, Alexey V. Zakharov, Olga Koborova, Alexander E. Kel, Vladimir Poroikov

BMC Bioinform., 2010

2007

CYCLONET - an integrated database on cell cycle regulation and carcinogenesis.

Fedor A. Kolpakov, Vladimir Poroikov, Ruslan N. Sharipov, Yury V. Kondrakhin, Alexey V. Zakharov, Alexey Lagunin, Luciano Milanesi, Alexander E. Kel

Nucleic Acids Res., 2007