吞吐量
工作流程
计算
计算机科学
计算机体系结构
数据库
电信
程序设计语言
无线
作者
Jian Liu,Shicao Zhao,Bowen Duan,Xudong He,Chunming Yang,Xuemei Pu,Xinben Zhang,Yonghao Xiao,Fude Nie,Wen Qian,Geng Li,Chaoyang Zhang
出处
期刊:Journal of materials chemistry. A, Materials for energy and sustainability
[The Royal Society of Chemistry]
日期:2023-01-01
卷期号:11 (45): 25031-25044
被引量:7
摘要
High-throughput design of energetic molecules implemented by molecular docking, AI-aided molecular design, an automated computation workflow, a structure−property database, deep learning QSPRs and an easy-to-use platform.
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