A model evaluated 234 toxic and 596 non-toxic compounds using structural fingerprints and achieved an F1 score of 0.440; what could be wrong?
Of course, one answer is that it’s a great model. What’s another possibility?
Srijit Seal 🇺🇸🇬🇧🇩🇪🇯🇵🇮🇳
@srijitseal.com
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Senior Chemøinformatician at Merck | Postdoc@Broad Institute of MIT and Harvard, Cambridge(MA) | PhD@University of Cambridge(UK) | AI, Image Analysis, bioML, -omics data, and Cell Painting for drug discovery. srijitseal.com/tools
