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Uncertainty-aware hybrid deep generative framework for robust and explainable drug discovery

Abstract Conventional techniques in drug discovery are time-consuming and less accurate due to the vast chemical space and associated uncertainty. Artificial intelligence and machine learning have introduced new methods to improve the drug discovery process. But still, some challenges need to be ove...

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Uloženo v:
Hlavní autoři: Saniya Gupta, A. Sherly Alphonse, D. Kavitha
Médium: Artigo
Jazyk:Inglês
Vydáno: BMC 2026-03-01
Edice:BMC Bioinformatics
Témata:
Drug discovery
Explainability
Uncertainty
Reinforcement learning
Molecular graph
On-line přístup:https://doi.org/10.1186/s12859-026-06405-3
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