Journal
ACS MEDICINAL CHEMISTRY LETTERS
Volume 2, Issue 10, Pages 741-746Publisher
AMER CHEMICAL SOC
DOI: 10.1021/ml200135p
Keywords
Malaria; TCAMS; lead optimization; open innovation
Categories
Funding
- Medicines for Malaria Venture (MMV)
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In 2010, GlaxoSmithKline published the structures of 13533 chemical starting points for antimalarial lead identification. By using an agglomerative structural clustering technique followed by computational filters such as antimalarial activity, physicochemical properties, and dissimilarity to known antimalarial structures, we have identified 47 starting points for 13,533 2948 lead optimization. Their structures are provided. We invite potential collaborators to work with us to discover new clinical candidates.
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