Machine Learning Methods to Predict Density Functional Theory B3LYP Energies of HOMO and LUMO Orbitals 论文

2016Journal of Chemical Information and Modeling引用 232
DOI
Machine Learning in Materials ScienceComputational Drug Discovery MethodsVarious Chemistry Research Topics
人工智能Computational Drug Discovery MethodsMachine Learning in Materials ScienceVarious Chemistry Research Topics
相关技术:Computational Drug Discovery MethodsMachine Learning in Materials Science
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Machine Learning Methods to Predict Density Functional Theory B3LYP Energies of HOMO and LUMO Orbitals · 作者

J

João Aires‐de‐Sousa

Q

Qingyou Zhang

C

Chengcheng Wu

D

Diogo A. R. S. Latino

K

Kaixia Xiao

F

Florbela Pereira