Toward a unified benchmark and framework for deep learning-based prediction of nuclear magnetic resonance chemical shifts
Fanjie Xu, Wentao Guo, Feng Wang, Lin Yao, Hongshuai Wang, Fujie Tang, Zhifeng Gao, Linfeng Zhang, E Weinan, Zhong‐Qun Tian, Jun Cheng
Topics & Concepts
Benchmark (surveying)Deep learningNuclear magnetic resonanceComputer scienceArtificial intelligenceMachine learningPhysicsGeologyGeodesyMolecular spectroscopy and chiralityMetabolomics and Mass Spectrometry StudiesComputational Drug Discovery Methods