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Virtual screening of bioassay data

Amanda C Schierz

Journal of Cheminformatics 2009, 1:21 doi:10.1186/1758-2946-1-21

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Computational models for in-vitro anti-tubercular activity of molecules based on high-throughput chemical biology screening datasets

Vinita Periwal, Shireesha Kishtapuram, Vinod Scaria BMC Pharmacology 2012, 12:1 (31 March 2012)

Abstract | Full text | PDF | PubMed |  Editor’s summary

Computational methods based on Machine Learning tools and supervised classifiers generate accurate predictive models for virtual high-throughput screens of large libraries of anti-tubercular molecules, allowing prioritization of good candidates for drug discovery.

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Predictive models for anti-tubercular molecules using machine learning on high-throughput biological screening datasets

Vinita Periwal, Jinuraj K Rajappan, Abdul UC Jaleel, Vinod Scaria BMC Research Notes 2011, 4:504 (18 November 2011)

Abstract | Full text | PDF | PubMed | Cited on BioMed Central

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