QSAR Modeling of Imbalanced High-Throughput Screening Data in PubChem von Zakharov, Alexey V, Peach, Megan L, Sitzmann, Markus, Nicklaus, Marc C

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Rational Use of Heterogeneous Data in Quantitative Structure–Activity Relationship (QSAR) Modeling of Cyclooxygenase/Lipoxygenase Inhibitors von Lagunin, Alexey A, Geronikaki, Athina, Eleftheriou, Phaedra, Pogodin, Pavel V, Zakharov, Alexey V

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Quantitative Prediction of Antitarget Interaction Profiles for Chemical Compounds von Zakharov, Alexey V, Lagunin, Alexey A, Filimonov, Dmitry A, Poroikov, Vladimir V

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Production, Redistribution, and Inequality von Zakharov, Alexey V., Zakharov, Vladimir E.

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A critical overview of computational approaches employed for COVID-19 drug discovery von Muratov, Eugene N, Amaro, Rommie, Andrade, Carolina H, Brown, Nathan, Ekins, Sean, Fourches, Denis, Isayev, Olexandr, Kozakov, Dima, Medina-Franco, José L, Merz, Kenneth M, Oprea, Tudor I, Poroikov, Vladimir, Schneider, Gisbert, Todd, Matthew H, Varnek, Alexandre, Winkler, David A, Zakharov, Alexey V, Cherkasov, Artem, Tropsha, Alexander

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Deep learning identifies synergistic drug combinations for treating COVID-19 von Jin, Wengong, Stokes, Jonathan M., Eastman, Richard T., Itkin, Zina, Zakharov, Alexey V., Collins, James J., Jaakkola, Tommi S., Barzilay, Regina

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Synergistic and Antagonistic Drug Combinations against SARS-CoV-2 von Bobrowski, Tesia, Chen, Lu, Eastman, Richard T., Itkin, Zina, Shinn, Paul, Chen, Catherine Z., Guo, Hui, Zheng, Wei, Michael, Sam, Simeonov, Anton, Hall, Matthew D., Zakharov, Alexey V., Muratov, Eugene N.

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Critical Assessment of Artificial Intelligence Methods for Prediction of hERG Channel Inhibition in the “Big Data” Era von Siramshetty, Vishal B, Nguyen, Dac-Trung, Martinez, Natalia J, Southall, Noel T, Simeonov, Anton, Zakharov, Alexey V

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Early Alterations in Structural and Functional Properties in the Neuromuscular Junctions of Mutant FUS Mice von Mukhamedyarov, Marat A, Khabibrakhmanov, Aydar N, Khuzakhmetova, Venera F, Giniatullin, Arthur R, Zakirjanova, Guzalia F, Zhilyakov, Nikita V, Mukhutdinova, Kamilla A, Samigullin, Dmitry V, Grigoryev, Pavel N, Zakharov, Andrey V, Zefirov, Andrey L, Petrov, Alexey M

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Photocyclization of Diarylethenes: The Effect of Electron and Proton Acceptors as Additives von Yadykov, Anton V, Lvov, Andrey G, Krayushkin, Mikhail M, Zakharov, Alexey V, Shirinian, Valerii Z

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QSAR Modelling of Rat Acute Toxicity on the Basis of PASS Prediction von Lagunin, Alexey, Zakharov, Alexey, Filimonov, Dmitry, Poroikov, Vladimir

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A platform of assays for the discovery of anti-Zika small-molecules with activity in a 3D-bioprinted outer-blood-retina model von Dorjsuren, Dorjbal, Eastman, Richard T, Song, Min Jae, Yasgar, Adam, Chen, Yuchi, Bharti, Kapil, Zakharov, Alexey V, Jadhav, Ajit, Ferrer, Marc, Shi, Pei-Yong, Simeonov, Anton

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Revealing β-TrCP activity dynamics in live cells with a genetically encoded biosensor von Paul, Debasish, Kales, Stephen C., Cornwell, James A., Afifi, Marwa M., Rai, Ganesha, Zakharov, Alexey, Simeonov, Anton, Cappell, Steven D.

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Friedel–Crafts Alkylation of Indoles with Aldehydes/Ketones Catalyzed by Bromodiarylethene-Based Photoacid Generators von Zakharov, Alexey V., Timofeeva, Sofia M., Shirinian, Valerii Z.

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Photochemical Rearrangement of Diarylethenes: Reaction Efficiency and Substituent Effects von Zakharov, Alexey V, Gaeva, Elena B, Lvov, Andrey G, Metelitsa, Anatoly V, Shirinian, Valerii Z

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A minimal model for a slow pacemaking neuron von Kuznetsov, Alexey, Zakharov, Denis

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Style transfer with variational autoencoders is a promising approach to RNA-Seq data harmonization and analysis von Russkikh, Nikolai, Antonets, Denis, Shtokalo, Dmitry, Makarov, Alexander, Vyatkin, Yuri, Zakharov, Alexey, Terentyev, Evgeny

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A New Approach to Radial Basis Function Approximation and Its Application to QSAR von Zakharov, Alexey V, Peach, Megan L, Sitzmann, Markus, Nicklaus, Marc C

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Mechanistic Aspects of Photoinduced Rearrangement of 2,3-Diarylcyclopentenone Bearing Benzene and Oxazole Moieties von Glebov, Evgeni M, Ruban, Natalia V, Pozdnyakov, Ivan P, Grivin, Vjacheslav P, Plyusnin, Victor F, Lvov, Andrey G, Zakharov, Alexey V, Shirinian, Valerii Z

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A Comprehensive Phenotypic Screening Strategy to Identify Modulators of Cargo Translocation by the Bacterial Type IVB Secretion System von Cheng, Eric, Dorjsuren, Dorjbal, Lehman, Stephanie, Larson, Charles L, Titus, Steven A, Sun, Hongmao, Zakharov, Alexey, Rai, Ganesha, Heinzen, Robert A, Simeonov, Anton, Machner, Matthias P

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