New Results
Interpretable Chirality-Aware Graph Neural Network for Quantitative Structure Activity Relationship Modeling in Drug Discovery
View ORCID ProfileYunchao “Lance” Liu, Yu Wang, Oanh Vu, View ORCID ProfileRocco Moretti, Bobby Bodenheimer, View ORCID ProfileJens Meiler, View ORCID ProfileTyler Derr
doi: https://doi.org/10.1101/2022.08.24.505155
Yunchao “Lance” Liu
1Vanderbilt University
Yu Wang
1Vanderbilt University
Oanh Vu
1Vanderbilt University
Rocco Moretti
1Vanderbilt University
Bobby Bodenheimer
1Vanderbilt University
Jens Meiler
1Vanderbilt University
2Leipzig University
Tyler Derr
1Vanderbilt University
Posted August 26, 2022.
Interpretable Chirality-Aware Graph Neural Network for Quantitative Structure Activity Relationship Modeling in Drug Discovery
Yunchao “Lance” Liu, Yu Wang, Oanh Vu, Rocco Moretti, Bobby Bodenheimer, Jens Meiler, Tyler Derr
bioRxiv 2022.08.24.505155; doi: https://doi.org/10.1101/2022.08.24.505155
Subject Area
Subject Areas
- Biochemistry
- Biochemistry (14180)
- Bioengineering (10838)
- Bioinformatics (34338)
- Biophysics (17663)
- Cancer Biology (14764)
- Cell Biology (20805)
- Clinical Trials (138)
- Developmental Biology (11205)
- Ecology (16520)
- Epidemiology (2067)
- Evolutionary Biology (20828)
- Genetics (13683)
- Genomics (19112)
- Immunology (14252)
- Microbiology (33196)
- Molecular Biology (13845)
- Neuroscience (72514)
- Paleontology (544)
- Pathology (2278)
- Pharmacology and Toxicology (3861)
- Physiology (6105)
- Plant Biology (12398)
- Synthetic Biology (3464)
- Systems Biology (8379)
- Zoology (1913)