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Title
Validating new tuberculosis computational models with public whole cell screening aerobic activity datasets.
Authors
Ekins, Sean; Freundlich, Joel S
Abstract
The search for small molecules with activity against Mycobacterium tuberculosis (Mtb) increasingly uses high throughput screening and computational methods. Several public datasets from the Collaborative Drug Discovery Tuberculosis (CDD TB) database have been evaluated with cheminformatics approaches to validate their utility and suggest compounds for testing.