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DeepScaffold: a comprehensive tool for scaffold-based de novo drug discovery using deep learning.
Yibo Li
Jianxing Hu
Yanxing Wang
Jielong Zhou
Liangren Zhang
Zhenming Liu
Published in:
CoRR (2019)
Keyphrases
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deep learning
drug discovery
unsupervised learning
mass spectrometry
virtual screening
data mining tools
pharmaceutical industry
machine learning
early stage
mental models
biological systems
systems biology
data model
data mining
weakly supervised
real world
feature space