Data-driven discovery of molecular photoswitches with multioutput Gaussian processes.

Griffiths, Ryan-Rhys; Greenfield, Jake L; Thawani, Aditya R; Jamasb, Arian R; Moss, Henry B; Bourached, Anthony; Jones, Penelope; McCorkindale, William; Aldrick, Alexander A; Fuchter, Matthew J; Lee, Alpha A

Griffiths, Ryan-Rhys; Greenfield, Jake L; Thawani, Aditya R; Jamasb, Arian R; Moss, Henry B; Bourached, Anthony; Jones, Penelope; McCorkindale, William; Aldrick, Alexander A; Fuchter, Matthew J; Lee, Alpha A.

Afiliação

Griffiths RR; The Cavendish Laboratory, Department of Physics, University of Cambridge Cambridge CB3 0HE UK rrg27@cam.ac.uk aal44@cam.ac.uk.
Greenfield JL; Molecular Sciences Research Hub, Department of Chemistry, Imperial College London London W12 0BZ UK.
Thawani AR; Center for Nanosystems Chemistry (CNC), Institut für Organische Chemie, Universität Würzburg Würzburg 97074 Germany.
Jamasb AR; Molecular Sciences Research Hub, Department of Chemistry, Imperial College London London W12 0BZ UK.
Moss HB; The Computer Laboratory, University of Cambridge Cambridge CB3 0FD UK.
Bourached A; Secondmind.ai Cambridge CB2 1LA UK.
Jones P; The Institute of Neurology, Department of Neurology, University College London London WC1N 3BG UK.
McCorkindale W; The Cavendish Laboratory, Department of Physics, University of Cambridge Cambridge CB3 0HE UK rrg27@cam.ac.uk aal44@cam.ac.uk.
Aldrick AA; The Cavendish Laboratory, Department of Physics, University of Cambridge Cambridge CB3 0HE UK rrg27@cam.ac.uk aal44@cam.ac.uk.
Fuchter MJ; The Cavendish Laboratory, Department of Physics, University of Cambridge Cambridge CB3 0HE UK rrg27@cam.ac.uk aal44@cam.ac.uk.
Lee AA; Molecular Sciences Research Hub, Department of Chemistry, Imperial College London London W12 0BZ UK.

Chem Sci ; 13(45): 13541-13551, 2022 Nov 23.

Article em En | MEDLINE | ID: mdl-36507171

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies Idioma: En Ano de publicação: 2022 Tipo de documento: Article

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies Idioma: En Ano de publicação: 2022 Tipo de documento: Article