How Sure Can We Be about ML Methods-Based Evaluation of Compound Activity: Incorporation of Information about Prediction Uncertainty Using Deep Learning Techniques.

Molecules · 2020 · PMC7144469 · PMID 32210186

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quite significantno p-value reported

However, considering particular cases separately, there was an approach that improved the accuracy of ML predictions in comparison to baseline; there were examples where these improvement was quite significant.

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