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So happy to see our article out today in Nature Machine Intelligence! 🎉 This is a short paper on chemical space & statistical modelling, and should be readable by (scientifically-literate) non-experts in the field, so I hope you find it enjoyable! rdcu.be/fnkro (free link) #chemsky
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Nature Machine Intelligence - Machine learning methods for drug discovery often face difficulties in identifying novel bioactive molecules that do not belong to the training data distribution. A...
rdcu.be
Navigating molecular OOD-ness
Nessa Carson