| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 8410739 | Drug Discovery Today | 2013 | 50 Pages |
Abstract
⺠We describe how NCATS and MRC repurposing projects have not included structures. ⺠We show this omission of structures prevents in silico repurposing. ⺠Data gathering and curation to assign structures is replicated unnecessarily. ⺠Common problems arise mapping company codes to small-molecule structures. ⺠We provide structures for most of these molecules to enable in silico approaches.
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Authors
Christopher Southan, Antony J. Williams, Sean Ekins,