Towards efficient discovery of green synthetic pathways with Monte Carlo tree search and reinforcement learning.

Wang, Xiaoxue; Qian, Yujie; Gao, Hanyu; Coley, Connor W; Mo, Yiming; Barzilay, Regina; Jensen, Klavs F

Wang, Xiaoxue; Qian, Yujie; Gao, Hanyu; Coley, Connor W; Mo, Yiming; Barzilay, Regina; Jensen, Klavs F.

Afiliação

Wang X; Department of Chemical Engineering, Massachusetts Institute of Technology Cambridge Massachusetts 02139 USA kfjensen@mit.edu.
Qian Y; Department of Chemical and Biomolecular Engineering, The Ohio State University Columbus Ohio 43210 USA.
Gao H; Department of Electrical Engineering and Computer Science, Massachusetts Institute of Technology Cambridge Massachusetts 02139 USA.
Coley CW; Department of Chemical Engineering, Massachusetts Institute of Technology Cambridge Massachusetts 02139 USA kfjensen@mit.edu.
Mo Y; Department of Chemical Engineering, Massachusetts Institute of Technology Cambridge Massachusetts 02139 USA kfjensen@mit.edu.
Barzilay R; Department of Chemical Engineering, Massachusetts Institute of Technology Cambridge Massachusetts 02139 USA kfjensen@mit.edu.
Jensen KF; Department of Electrical Engineering and Computer Science, Massachusetts Institute of Technology Cambridge Massachusetts 02139 USA.

Chem Sci ; 11(40): 10959-10972, 2020 Sep 14.

Article em En | MEDLINE | ID: mdl-34094345

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies Idioma: En Revista: Chem Sci Ano de publicação: 2020 Tipo de documento: Article País de publicação: Reino Unido

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