General Graph Neural Network-Based Model To Accurately Predict Cocrystal Density and Insight from Data Quality and Feature Representation

Autor: Jiali Guo, Ming Sun, Xueyan Zhao, Chaojie Shi, Haoming Su, Yanzhi Guo, Xuemei Pu
Rok vydání: 2023
Předmět:
Zdroj: Journal of Chemical Information and Modeling. 63:1143-1156
ISSN: 1549-960X
1549-9596
DOI: 10.1021/acs.jcim.2c01538
Databáze: OpenAIRE