書誌事項
- タイトル別名
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- Development of Reaction Prediction Scheme Based on Machine Learning with Quantum Chemical Descriptors
抄録
<p>We have developed a novel reaction prediction system, which uses machine learning with quantum chemical descriptors. Numerical assessments of the system were performed on basic polar and radical organic chemical reactions. The accuracy of the present system was close to that of a previous system having machine learning with topological information, which is termed ReactionPredictor.</p>
収録刊行物
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- Journal of Computer Chemistry, Japan
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Journal of Computer Chemistry, Japan 15 (3), 63-65, 2016
日本コンピュータ化学会
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キーワード
詳細情報 詳細情報について
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- CRID
- 1390001205178375808
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- NII論文ID
- 130005249580
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- ISSN
- 13473824
- 13471767
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- 本文言語コード
- ja
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- データソース種別
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- JaLC
- Crossref
- CiNii Articles
- KAKEN
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- 抄録ライセンスフラグ
- 使用不可