文献
J-GLOBAL ID:202002258812305825
整理番号:20A2773104
QM9量子化学データセットのSMILES表現に基づく9つの分子特性の機械学習予測【JST・京大機械翻訳】
Machine Learning Prediction of Nine Molecular Properties Based on the SMILES Representation of the QM9 Quantum-Chemistry Dataset
著者 (6件):
Pinheiro Gabriel A.
(Associate Laboratory for Computing and Applied Mathematics, National Institute for Space Research, SP, Brazil)
,
Mucelini Johnatan
(Sao Carlos Institute of Chemistry, University of Sao Paulo, SP, Brazil)
,
Soares Marinalva D.
(Institute of Science and Technology, Federal University of Sao Paulo (Unifesp), SP, Brazil)
,
Prati Ronaldo C.
(Center of Mathematics, Computation and Cognition, Federal University of ABC, SP, Brazil)
,
Da Silva Juarez L. F.
(Sao Carlos Institute of Chemistry, University of Sao Paulo, SP, Brazil)
,
Quiles Marcos G.
(Institute of Science and Technology, Federal University of Sao Paulo, SP, Brazil)
資料名:
Journal of Physical Chemistry A
(Journal of Physical Chemistry A)
巻:
124
号:
47
ページ:
9854-9866
発行年:
2020年
JST資料番号:
C0334B
ISSN:
1089-5639
CODEN:
JPCAFH
資料種別:
逐次刊行物 (A)
記事区分:
原著論文
発行国:
アメリカ合衆国 (USA)
言語:
英語 (EN)