Current and Future Roles of Artificial Intelligence in Medicinal Chemistry Synthesis.

Struble, Thomas J; Alvarez, Juan C; Brown, Scott P; Chytil, Milan; Cisar, Justin; DesJarlais, Renee L; Engkvist, Ola; Frank, Scott A; Greve, Daniel R; Griffin, Daniel J; Hou, Xinjun; Johannes, Jeffrey W; Kreatsoulas, Constantine; Lahue, Brian; Mathea, Miriam; Mogk, Georg; Nicolaou, Christos A; Palmer, Andrew D; Price, Daniel J; Robinson, Richard I; Salentin, Sebastian; Xing, Li; Jaakkola, Tommi; Green, William H; Barzilay, Regina; Coley, Connor W; Jensen, Klavs F

Struble, Thomas J; Alvarez, Juan C; Brown, Scott P; Chytil, Milan; Cisar, Justin; DesJarlais, Renee L; Engkvist, Ola; Frank, Scott A; Greve, Daniel R; Griffin, Daniel J; Hou, Xinjun; Johannes, Jeffrey W; Kreatsoulas, Constantine; Lahue, Brian; Mathea, Miriam; Mogk, Georg; Nicolaou, Christos A; Palmer, Andrew D; Price, Daniel J; Robinson, Richard I; Salentin, Sebastian; Xing, Li; Jaakkola, Tommi; Green, William H; Barzilay, Regina; Coley, Connor W; Jensen, Klavs F.

Affiliation

Struble TJ; Department of Chemical Engineering, MIT, Cambridge, Massachusetts 02139, United States.
Alvarez JC; Computational and Structural Chemistry, Merck & Co. Inc., Kenilworth, New Jersey 07033, United States.
Brown SP; Sunovion Pharmaceuticals Inc., Marlborough, Massachusetts 01752, United States.
Chytil M; Sunovion Pharmaceuticals Inc., Marlborough, Massachusetts 01752, United States.
Cisar J; Janssen Research & Development LLC, Spring House, Pennsylvania 19477, United States.
DesJarlais RL; Janssen Research & Development LLC, Spring House, Pennsylvania 19477, United States.
Engkvist O; Hit Discovery, Discovery Sciences, R&D, AstraZeneca, 431 83 Mölndal, Sweden.
Frank SA; Eli Lilly and Company, Indianapolis, Indiana 46285, United States.
Greve DR; LEO Pharma A/S, Industriparken 55, DK-2750 Ballerup, Denmark.
Griffin DJ; Amgen Inc., Cambridge, Massachusetts 02141, United States.
Hou X; Pfizer Inc., Cambridge, Massachusetts 02139, United States.
Johannes JW; Medicinal Chemistry, Early Oncology, Oncology R&D, AstraZeneca, Boston, Massachusetts 02451, United States.
Kreatsoulas C; GlaxoSmithKline, Collegeville, Pennsylvania 19426, United States.
Lahue B; Computational and Structural Chemistry, Merck & Co. Inc., Kenilworth, New Jersey 07033, United States.
Mathea M; BASF SE, Carl-Bosch-Strasse 38, 67056 Ludwigshafen am Rhein, Germany.
Mogk G; Bayer GmbH, D-51368 Leverkusen, Germany.
Nicolaou CA; Eli Lilly and Company, Indianapolis, Indiana 46285, United States.
Palmer AD; BASF SE, Carl-Bosch-Strasse 38, 67056 Ludwigshafen am Rhein, Germany.
Price DJ; GlaxoSmithKline, Collegeville, Pennsylvania 19426, United States.
Robinson RI; Novartis Institutes for BioMedical Research, Cambridge, Massachusetts 02139, United States.
Salentin S; BASF SE, Carl-Bosch-Strasse 38, 67056 Ludwigshafen am Rhein, Germany.
Xing L; WuXi AppTec, Cambridge, Massachusetts 02142, United States.
Jaakkola T; Computer Science and Artificial Intelligence Laboratory, MIT, Cambridge, Massachusetts 02139, United States.
Green WH; Department of Chemical Engineering, MIT, Cambridge, Massachusetts 02139, United States.
Barzilay R; Computer Science and Artificial Intelligence Laboratory, MIT, Cambridge, Massachusetts 02139, United States.
Coley CW; Department of Chemical Engineering, MIT, Cambridge, Massachusetts 02139, United States.
Jensen KF; Department of Chemical Engineering, MIT, Cambridge, Massachusetts 02139, United States.

J Med Chem ; 63(16): 8667-8682, 2020 08 27.

Article de En | MEDLINE | ID: mdl-32243158

Sujet(s)

Texte intégral

Ajouter à My VHL

Imprimer

XML

PubMed Links

Recherche sur Google

Texte intégral: 1 Collection: 01-internacional Base de données: MEDLINE Sujet principal: Chimie pharmaceutique / Techniques de chimie synthétique / Apprentissage machine Type d'étude: Prognostic_studies Langue: En Journal: J Med Chem Sujet du journal: QUIMICA Année: 2020 Type de document: Article Pays d'affiliation: États-Unis d'Amérique

Texte intégral

Ajouter à My VHL

Imprimer

XML

PubMed Links

Recherche sur Google