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Retro Drug Design: From Target Properties to Molecular Structures.
Yuhong Wang
Samuel G. Michael
Shyh-Ming Yang
Ruili Huang
Kennie Cruz-Gutierrez
Yaqing Zhang
Jinghua Zhao
Menghang Xia
Paul Shinn
Hongmao Sun
Published in:
J. Chem. Inf. Model. (2022)
Keyphrases
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drug design
molecular structures
three dimensional
augmented reality
protein structure prediction
protein protein interactions
drug discovery
quantitative structure activity
machine learning
complex systems
structural properties