Predicting Chemical Reactions!
- Russ Greiner
- Jun 6, 2018
- 1 min read
My colleagues and I just published CypReact, the first tool for automatically predicting whether a given molecule will react with a specific Cytochrome P450 enzyme;
https://pubs.acs.org/doi/10.1021/acs.jcim.8b00035
The community is using it -- check out https://www.macinchem.org/reviews/cypreact/cypreact.php
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