Deep-learning-based de novo discovery and design of therapeutics that reverse disease-associated transcriptional phenotypes - PubMed
5 hours ago
- #deep learning
- #drug discovery
- #transcriptomics
- Deep-learning-based platform GPS for de novo drug discovery using transcriptomic features.
- GPS screens large compound libraries and optimizes lead molecules based on chemical structures.
- Incorporates structure-gene-activity relationships to uncover drug mechanisms from transcriptomic data.
- Evaluated in hepatocellular carcinoma, discovering two unique compound series with in vivo efficacy.
- Identified repurposing candidate and novel anti-fibrotic compound in idiopathic pulmonary fibrosis.
- Uses transcriptome reversal and virtual screening for therapeutic design.