5 citations · 6 across the 3 of their papers we have counts for
3 papers
Generative Active Learning for the Search of Small-molecule Protein Binders
Maksym Korablyov, Cheng-Hao Liu, Moksh Jain +31
Despite substantial progress in machine learning for scientific discovery in recent years, truly de novo design of small molecules which exhibit a property of interest remains a si…
Towards DNA-Encoded Library Generation with GFlowNets
Michał Koziarski, Mohammed Abukalam, Vedant Shah +7
DNA-encoded libraries (DELs) are a powerful approach for rapidly screening large numbers of diverse compounds. One of the key challenges in using DELs is library design, which invo…
Graph-Based Active Machine Learning Method for Diverse and Novel Antimicrobial Peptides Generation and Selection
Bonaventure F. P. Dossou, Dianbo Liu, Xu Ji +5
As antibiotic-resistant bacterial strains are rapidly spreading worldwide, infections caused by these strains are emerging as a global crisis causing the death of millions of peopl…