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2204.09042
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Accelerating Inhibitor Discovery With A Deep Generative Foundation Model: Validation for SARS-CoV-2 Drug Targets
19 April 2022
Vijil Chenthamarakshan
Samuel C. Hoffman
C. Owen
P. Lukacik
C. Strain-Damerell
D. Fearon
T. R. Malla
A. Tumber
C. Schofield
Helen M. E. Duyvesteyn
W. Dejnirattisai
L. Carrique
T. Walter
G. Screaton
T. Matviiuk
Aleksandra Mojsilović
J. Crain
Martin A. Walsh
David I. Stuart
Payel Das
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Papers citing
"Accelerating Inhibitor Discovery With A Deep Generative Foundation Model: Validation for SARS-CoV-2 Drug Targets"
5 / 5 papers shown
Title
AlphaFold Accelerates Artificial Intelligence Powered Drug Discovery: Efficient Discovery of a Novel Cyclin-dependent Kinase 20 (CDK20) Small Molecule Inhibitor
Fengzhi Ren
Xiao Ding
Mingzhong Zheng
M. Korzinkin
Xin Cai
...
Ju Wang
F. Pun
Alán Aspuru-Guzik
M. Levitt
Alex Zhavoronkov
29
14
0
21 Jan 2022
Inverse design of 3d molecular structures with conditional generative neural networks
Niklas W. A. Gebauer
M. Gastegger
Stefaan S. P. Hessmann
Klaus-Robert Muller
Kristof T. Schütt
AI4CE
192
166
0
10 Sep 2021
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
Daniil Polykovskiy
Alexander Zhebrak
Benjamín Sánchez-Lengeling
Sergey Golovanov
Oktai Tatanov
...
Simon Johansson
Hongming Chen
Sergey I. Nikolenko
Alán Aspuru-Guzik
Alex Zhavoronkov
ELM
194
633
0
29 Nov 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation
Wengong Jin
Regina Barzilay
Tommi Jaakkola
224
1,340
0
12 Feb 2018
MoleculeNet: A Benchmark for Molecular Machine Learning
Zhenqin Wu
Bharath Ramsundar
Evan N. Feinberg
Joseph Gomes
C. Geniesse
Aneesh S. Pappu
K. Leswing
Vijay S. Pande
OOD
184
1,778
0
02 Mar 2017
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