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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, Schmitt, Charles, Bizon, Cristopher, Baker, Nancy, Chirkova, Rada, Cherkasov, Artem, Muratov, Eugene, Tropsha, Alexander
Published in ChemRxiv

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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
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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
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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
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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.
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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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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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