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Generative Active Learning for the Search of Small-molecule Protein
  Binders

Generative Active Learning for the Search of Small-molecule Protein Binders

2 May 2024
Maksym Korablyov
Cheng-Hao Liu
Moksh Jain
A. V. D. Sloot
Eric Jolicoeur
Edward Ruediger
A. Nica
Emmanuel Bengio
Kostiantyn Lapchevskyi
Daniel St-Cyr
Doris Alexandra Schuetz
V. Butoi
Jarrid Rector-Brooks
Simon R. Blackburn
Leo Feng
Hadi Nekoei
S. Gottipati
Priyesh Vijayan
Prateek Gupta
Ladislav Rampášek
Sasikanth Avancha
Pierre-Luc Bacon
William L. Hamilton
Brooks Paige
Sanchit Misra
Stanislaw Jastrzebski
Bharat Kaul
Doina Precup
José Miguel Hernández-Lobato
Marwin H. S. Segler
Michael M. Bronstein
A. Marinier
Mike Tyers
Yoshua Bengio
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Papers citing "Generative Active Learning for the Search of Small-molecule Protein Binders"

3 / 3 papers shown
Title
Generative Topological Networks
Generative Topological Networks
Alona Levy-Jurgenson
Z. Yakhini
46
0
0
21 Jun 2024
Accelerating high-throughput virtual screening through molecular
  pool-based active learning
Accelerating high-throughput virtual screening through molecular pool-based active learning
David E. Graff
E. Shakhnovich
Connor W. Coley
87
142
0
13 Dec 2020
Machine learning on DNA-encoded libraries: A new paradigm for
  hit-finding
Machine learning on DNA-encoded libraries: A new paradigm for hit-finding
Kevin McCloskey
E. Sigel
S. Kearnes
L. Xue
Xia Tian
...
C. Hupp
Anthony D. Keefe
Christopher J. Mulhern
Ying Zhang
Patrick F. Riley
49
103
0
31 Jan 2020
1