Bridging the Gap between Target-Based and Cell-Based Drug Discovery with a Graph Generative Multitask Model
Author:
Affiliation:
1. Guangdong-Hong Kong-Macao Joint Laboratory of Human-Machine Intelligence-Synergy Systems, Shenzhen Institute of Advanced Technology, Chinese Academy of Sciences, Shenzhen518055, China
Funder
Science, Technology and Innovation Commission of Shenzhen Municipality
Chinese Academy of Sciences
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.2c01180
Reference36 articles.
1. Prediction of intracellular exposure bridges the gap between target- and cell-based drug discovery
2. Identification of SARS-CoV-2 3CL Protease Inhibitors by a Quantitative High-Throughput Screening
3. Opportunities and challenges in phenotypic drug discovery: an industry perspective
4. Molecular Docking: A Powerful Approach for Structure-Based Drug Discovery
5. Development and evaluation of a deep learning model for protein–ligand binding affinity prediction
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