Alexey V. Zakharov

18 papers C 1Journal 16Unranked 1

Year	Rank	Type	Title / Venue / Authors
2025	J	`jnl`	Applications of Machine Learning Approaches for the Discovery of SARS-CoV-2 PLpro Inhibitors. J. Chem. Inf. Model. Sourav Pal, Kellie D. Nance, Dirgha Raj Joshi, Stephen C. Kales, Lin Ye, Xin Hu, Khalida Shamim, Alexey V. Zakharov
2025	J	`jnl`	One size does not fit all: revising traditional paradigms for assessing accuracy of QSAR models used for virtual screening. J. Cheminformatics James Wellnitz, Sankalp Jain, Joshua E. Hochuli, Travis Maxfield, Eugene N. Muratov, Alexander Tropsha, Alexey V. Zakharov
2021	J	`jnl`	Deep learning identifies synergistic drug combinations for treating COVID-19. Proc. Natl. Acad. Sci. USA Wengong Jin, Jonathan M. Stokes, Richard T. Eastman, Zina Itkin, Alexey V. Zakharov, James J. Collins, Tommi S. Jaakkola, Regina Barzilay
2021	J	`jnl`	Large-Scale Modeling of Multispecies Acute Toxicity End Points Using Consensus of Multitask Deep Learning Methods. J. Chem. Inf. Model. Sankalp Jain, Vishal B. Siramshetty, Vinicius M. Alves, Eugene N. Muratov, Nicole C. Kleinstreuer, Alexander Tropsha, Marc C. Nicklaus, Anton Simeonov, Alexey V. Zakharov
2020	J	`jnl`	Critical Assessment of Artificial Intelligence Methods for Prediction of hERG Channel Inhibition in the "Big Data" Era. J. Chem. Inf. Model. Vishal B. Siramshetty, Dac-Trung Nguyen, Natalia J. Martinez, Noel Southall, Anton Simeonov, Alexey V. Zakharov
2020	J	`jnl`	Predicting liver cytosol stability of small molecules. J. Cheminformatics Pranav Shah, Vishal B. Siramshetty, Alexey V. Zakharov, Noel Southall, Xin Xu, Dac-Trung Nguyen
2020	J	`jnl`	SCAM Detective: Accurate Predictor of Small, Colloidally Aggregating Molecules. J. Chem. Inf. Model. 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
2019	J	`jnl`	Novel Consensus Architecture To Improve Performance of Large-Scale Multitask Deep Learning QSAR Models. J. Chem. Inf. Model. Alexey V. Zakharov, Tongan Zhao, Dac-Trung Nguyen, Tyler Peryea, Timothy Sheils, Adam Yasgar, Ruili Huang, Noel Southall, Anton Simeonov
2019	J	`jnl`	Rational Use of Heterogeneous Data in Quantitative Structure-Activity Relationship (QSAR) Modeling of Cyclooxygenase/Lipoxygenase Inhibitors. J. Chem. Inf. Model. Alexey Lagunin, Athina Geronikaki, Phaedra Eleftheriou, Pavel V. Pogodin, Alexey V. Zakharov
2015	J	`jnl`	QSAR Modeling Using Large-Scale Databases: Case Study for HIV-1 Reverse Transcriptase Inhibitors. J. Chem. Inf. Model. Olga A. Tarasova, Aleksandra F. Urusova, Dmitry Filimonov, Marc C. Nicklaus, Alexey V. Zakharov, Vladimir Poroikov
2014	J	`jnl`	A New Approach to Radial Basis Function Approximation and Its Application to QSAR. J. Chem. Inf. Model. Alexey V. Zakharov, Megan L. Peach, Markus Sitzmann, Marc C. Nicklaus
2014	J	`jnl`	QSAR Modeling of Imbalanced High-Throughput Screening Data in PubChem. J. Chem. Inf. Model. Alexey V. Zakharov, Megan L. Peach, Markus Sitzmann, Marc C. Nicklaus
2013	C	`conf`	A static analysis approach to data race detection in SystemC designs. DDECS Mikhail J. Moiseev, Mikhail Glukhikh, Alexey V. Zakharov, Harald Richter
2012	J	`jnl`	Automatic data race detection in SystemC models. Autom. Control. Comput. Sci. Alexey V. Zakharov, Mikhail J. Moiseev
2011	—	`conf`	Static analysis method for deadlock detection in SystemC designs. SoC Mikhail J. Moiseev, Alexey V. Zakharov, Ilya Klotchkov, Sergey I. Salishev
2010	J	`jnl`	Collaborative development of predictive toxicology applications. J. Cheminformatics 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
2010	J	`jnl`	Functional classification of proteins based on projection of amino acid sequences: application for prediction of protein kinase substrates. BMC Bioinform. Boris Sobolev, Dmitry Filimonov, Alexey Lagunin, Alexey V. Zakharov, Olga Koborova, Alexander E. Kel, Vladimir Poroikov
2007	J	`jnl`	CYCLONET - an integrated database on cell cycle regulation and carcinogenesis. Nucleic Acids Res. Fedor A. Kolpakov, Vladimir Poroikov, Ruslan N. Sharipov, Yury V. Kondrakhin, Alexey V. Zakharov, Alexey Lagunin, Luciano Milanesi, Alexander E. Kel