ReSCoSS: a Flexible Quantum Chemistry Workflow Identifying Relevant Solution Conformers of Drug-Like Molecules
Journal of Computer-Aided Molecular Design（2020）
关键词
Conformations,Quantum chemistry,GFN-xTB,COSMO-RS,logP,ReSCoSS
AI 理解论文
溯源树
样例
生成溯源树，研究论文发展脉络
Chat Paper
正在生成论文摘要