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Graph and Geometry Generative Modeling for Drug Discovery.
Minkai Xu
Meng Liu
Wengong Jin
Shuiwang Ji
Jure Leskovec
Stefano Ermon
Published in:
KDD (2023)
Keyphrases
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drug discovery
chemical compounds
random walk
pharmaceutical industry
early stage
biological systems
knowledge discovery
high throughput
systems biology
virtual screening