biorxiv.org

TxConformal: Controlling False Discoveries in AI-Driven Therapeutic Discovery (opens in new tab)

Artificial Intelligence (AI) is transforming therapeutic discovery by scoring a large set of promising candidates and prioritizing a shortlist for further investigation. Quantifying the reliability of AI scores and preventing false positives among selected candidates is key to the efficiency of the discovery process. Conformal prediction (CP) has emerged as a popular tool for guiding such prioritization, especially via the conformal selection framework to control false discovery rates (FDR) i...

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