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COVID-19 Knowledge Extractor (COKE): A Tool and a Web Portal to Extract Drug - Target Protein Associations from the CORD-19 Corpus of Scientific Publications on COVID-19

by Korn, Daniel, Pervitsky, Vera, Bobrowski, Tesia, Alves, Vinicius M, Schmitt, Charles, Bizon, Chris, Baker, Nancy, Chirkova, Rada, Cherkasov, Artem, Muratov, Eugene, Tropsha, Alexander
Published in ChemRxiv (26.11.2020)

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Integrating Deep Neural Networks and Symbolic Inference for Organic Reactivity Prediction

by Qian, Wesley Wei, Russell, Nathan T., Simons, Claire L. W., Luo, Yunan, Burke, Martin D., Peng, Jian
Published in ChemRxiv

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Combined Machine Learning, Computational and Experimental Analysis of the Iridium(III) Complexes with Red to Near-IR Emission

by Karuth, Anas, Casanola-Martin, Gerardo, Lystrom, Levi, Sun, Wenfang, Kilin, Dmitri, Kilina, Svetlana, Rasulev, Bakhtiyor
Published in ChemRxiv (30.11.2022)

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Binding Ability Studies of Arginine, Citrulline, N-Acetyl Citrulline and Thiocitrulline with SARS Cov-2 Main Protease Using Molecular Docking Studies

by Thimmasandra Narayan, Ramesh
Published in ChemRxiv

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Galaxy workflows for fragment-based virtual screening: a case study on the SARS-CoV-2 main protease

by Bray, Simon, Dudgeon, Tim, Skyner, Rachael, Backofen, Rolf, Grüning, Björn, von Delft, Frank
Published in ChemRxiv

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Consensus Virtual Screening of Dark Chemical Matter and Food Chemicals Uncover Potential Inhibitors of SARS-CoV-2 Main Protease

by Santibáñez-Morán, Marisa G., López-López, Edgar, Prieto-Martínez, Fernando D., Sánchez-Cruz, Norberto, Medina-Franco, Jose L.
Published in ChemRxiv

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Fake it until you make it? Generative De Novo Design and Virtual Screening of Synthesizable Molecules

by Stanley, Megan, Segler, Marwin
Published in ChemRxiv

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Paper

COVID-19 Knowledge Extractor (COKE): A Tool and a Web Portal to Extract Drug - Target Protein Associations from the CORD-19 Corpus of Scientific Publications on COVID-19

Integrating Deep Neural Networks and Symbolic Inference for Organic Reactivity Prediction

Combined Machine Learning, Computational and Experimental Analysis of the Iridium(III) Complexes with Red to Near-IR Emission

Binding Ability Studies of Arginine, Citrulline, N-Acetyl Citrulline and Thiocitrulline with SARS Cov-2 Main Protease Using Molecular Docking Studies

Galaxy workflows for fragment-based virtual screening: a case study on the SARS-CoV-2 main protease

Consensus Virtual Screening of Dark Chemical Matter and Food Chemicals Uncover Potential Inhibitors of SARS-CoV-2 Main Protease

Fake it until you make it? Generative De Novo Design and Virtual Screening of Synthesizable Molecules

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