Deep-learning-based de novo discovery and design of therapeutics that reverse disease-associated transcriptional phenotypes.
Europe PMC REST API · Indexed academic record · Source published: Tue Mar 17 2026 00:00:00 GMT+0000 (Coordinated Universal Time) · Indexed here: Thu Oct 08 2026 09:08:13 GMT+0000 (Coordinated Universal Time)
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Identifying drugs that reverse disease-associated transcriptomic features has been widely explored for drug repurposing, but its potential for de novo drug discovery remains underexplored. Here, we present gene expression profile predictor on chemical structures (GPS), a deep-learning-based drug discovery platform, guided by transcriptomic features, that screens large compound libraries and optimi
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