Group Contribution and Machine Learning Approaches to Predict Abraham Solute Parameters, Solvation Free Energy, and Solvation Enthalpy.

Chung, Yunsie; Vermeire, Florence H; Wu, Haoyang; Walker, Pierre J; Abraham, Michael H; Green, William H

Chung, Yunsie; Vermeire, Florence H; Wu, Haoyang; Walker, Pierre J; Abraham, Michael H; Green, William H.

Afiliación

Chung Y; Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States.
Vermeire FH; Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States.
Wu H; Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States.
Walker PJ; Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States.
Abraham MH; Department of Chemical Engineering, Imperial College London, London SW7 2AZ, United Kingdom.
Green WH; Department of Chemistry, University College London, 20 Gordon Street, London WC1H OAJ, United Kingdom.

J Chem Inf Model ; 62(3): 433-446, 2022 02 14.

Article en En | MEDLINE | ID: mdl-35044781

Asunto(s)

Aprendizaje Automático; Redes Neurales de la Computación; Entropía; Soluciones; Solventes; Termodinámica

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Texto completo: 1 Bases de datos: MEDLINE Asunto principal: Redes Neurales de la Computación / Aprendizaje Automático Tipo de estudio: Prognostic_studies / Risk_factors_studies Idioma: En Revista: J Chem Inf Model Asunto de la revista: INFORMATICA MEDICA / QUIMICA Año: 2022 Tipo del documento: Article País de afiliación: Estados Unidos

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