著者

満野 仁美 奥脇 弘次 伊藤 雅仁 望月 祐志

出版者

日本コンピュータ化学会

雑誌

Journal of Computer Chemistry, Japan (ISSN:13471767)

巻号頁・発行日

vol.18, no.3, pp.126-128, 2019 (Released:2019-10-30)

参考文献数

8

被引用文献数

2

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We have been developing a Scratch-based educational program for machine learning in the chemistry context. This system has an interface with the DeepChem library set of Python. The solubility prediction of several molecules with SMILES notation was demonstrated as a preliminary application.