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PharmacoForge: pharmacophore generation with diffusion models

Structure-based drug design (SBDD) is enhanced by machine learning (ML) to improve both virtual screening and de novo design. Despite advances in ML tools for both strategies, screening remains bounded by time and computational cost, while generative models frequently produce invalid and synthetical...

Whakaahuatanga katoa

I tiakina i:
Ngā taipitopito rārangi puna kōrero
Ngā kaituhi matua: Emma L. Flynn, Riya Shah , Ian Dunn , Rishal Aggarwal , David Ryan Koes 
Hōputu: Artigo
Reo:Inglês
I whakaputaina: Frontiers Media S.A. 2025-09-01
Rangatū:Frontiers in Bioinformatics
Ngā marau:
Urunga tuihono:https://www.frontiersin.org/articles/10.3389/fbinf.2025.1628800/full
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