Molecules with Multiple Chiral Centers
Predicting Molecular Geometry
Molecular Models
Chemical Shift: Internal References and Solvent Effects
Mechanistic Models: Compartment Models in Algorithms for Numerical Problem Solving
Molecular Geometry and Dipole Moments
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Xin Xia1,2, Yiping Liu3, Chunhou Zheng1
1The Key Laboratory of Intelligent Computing and Signal Processing of Ministry of Education, School of Artificial Intelligence, Anhui University, Hefei 230601, China.
我们开发了一种新的多目标分子优化框架 (MOMO),以设计具有多个优化性质的药物分子. 莫莫产生多样化,新和高性质的分子,在药物发现中表现优于现有的方法.
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