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Chemical-informatics approach to COVID-19 drug discovery: Exploration of important fragments and data mining based prediction of some hits from natural origins as main protease (Mpro) inhibitors

Kalyan Ghosh, Sk. Abdul Amin, Shovanlal Gayen, Tarun Jha

2020Journal of Molecular Structure65 citationsDOIOpen Access PDF

Topics & Concepts

ChemistryNatural productDrug discoveryQuantitative structure–activity relationshipVirtual screeningComputational biologyComputer scienceArtificial intelligenceStereochemistryBiochemistryBiologyComputational Drug Discovery MethodsSynthesis and biological activityDiverse Scientific Research Studies
Chemical-informatics approach to COVID-19 drug discovery: Exploration of important fragments and data mining based prediction of some hits from natural origins as main protease (Mpro) inhibitors | Litcius