Chemical Informatics and the Drug Discovery Knowledge Pyramid

Combinatorial Chemistry & High Throughput Screening ◽

10.2174/1386207311301010006 ◽

2013 ◽

Vol 16 (10) ◽

pp. 764-776 ◽

Author(s):

Gerald Lushington ◽

Yinghua Dong ◽

Bhargav Theertham

Keyword(s):

Drug Discovery ◽

Chemical Informatics

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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

Journal of Molecular Structure ◽

10.1016/j.molstruc.2020.129026 ◽

2021 ◽

Vol 1224 ◽

pp. 129026 ◽

Author(s):

Kalyan Ghosh ◽

Sk. Abdul Amin ◽

Shovanlal Gayen ◽

Tarun Jha

Keyword(s):

Data Mining ◽

Drug Discovery ◽

Main Protease ◽

Chemical Informatics

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Chemical-informatics approach to COVID-19 drug discovery: Monte Carlo based QSAR, virtual screening and molecular docking study of some in-house molecules as papain-like protease (PLpro) inhibitors

Journal of Biomolecular Structure and Dynamics ◽

10.1080/07391102.2020.1780946 ◽

2020 ◽

pp. 1-10 ◽

Author(s):

Sk. Abdul Amin ◽

Kalyan Ghosh ◽

Shovanlal Gayen ◽

Tarun Jha

Keyword(s):

Monte Carlo ◽

Molecular Docking ◽

Drug Discovery ◽

Virtual Screening ◽

Docking Study ◽

Molecular Docking Study ◽

Chemical Informatics

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Epigenetics for Drug Discovery

10.1039/9781782628484 ◽

2015 ◽

Keyword(s):

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Drug Discovery for Leishmaniasis

10.1039/9781788010177 ◽

2017 ◽

Keyword(s):

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Artificial Intelligence in Drug Discovery

10.1039/9781788016841 ◽

2020 ◽

Keyword(s):

Artificial Intelligence ◽

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Phenotypic Drug Discovery

10.1039/9781839160721 ◽

2020 ◽

Keyword(s):

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Drug Discovery from Natural Products

10.1039/9781849734950 ◽

2012 ◽

Keyword(s):

Natural Products ◽

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Ethnomedicine and Drug Discovery

10.1016/s1572-557x(02)x8007-6 ◽

2002 ◽

Keyword(s):

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Bioinformatics and Computational Biology in Drug Discovery and Development

10.1017/cbo9780511989421 ◽

2016 ◽

Keyword(s):

Drug Discovery ◽

Computational Biology ◽

Drug Discovery And Development

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Mass Ligand-Binding Screening Strategies for Identification of Leads for New Drug Discovery

PsycEXTRA Dataset ◽

10.1037/e495942006-003 ◽

1993 ◽

Author(s):

Ronald M. Burch ◽

Keyword(s):

Drug Discovery ◽

Ligand Binding ◽

New Drug ◽

Screening Strategies

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