Prediction of Aqueous Solubility from SCRATCH: A new approach for solubility estimation - Couverture souple

Jain, Parijat

 
9783639162691: Prediction of Aqueous Solubility from SCRATCH: A new approach for solubility estimation
Couverture souple
ISBN 10 : 3639162692 ISBN 13 : 9783639162691
Editeur : VDM Verlag, 2009

Synopsis

Written for researchers in the chemical and pharmaceutical field, who deal with solubility, this book proposes a unique way of predicting aqueous solubility directly from the structure of a compound. The algorithm termed ¿SCRATCH model¿ utilizes predicted melting points and aqueous activity coefficients for the solubility estimation. Both the melting point and aqueous activity coefficient predictions are individually trained on over 1600 organic compounds, making the model very rigorous and robust. The model is cross- validated on about 900 organic compounds for the aqueous solubility prediction. In addition, the three appendices provide a lot of useful information for the reader.

Les informations fournies dans la section « Synopsis » peuvent faire référence à une autre édition de ce titre.

Présentation de l'éditeur

Written for researchers in the chemical and pharmaceutical field, who deal with solubility, this book proposes a unique way of predicting aqueous solubility directly from the structure of a compound. The algorithm termed ¿SCRATCH model¿ utilizes predicted melting points and aqueous activity coefficients for the solubility estimation. Both the melting point and aqueous activity coefficient predictions are individually trained on over 1600 organic compounds, making the model very rigorous and robust. The model is cross- validated on about 900 organic compounds for the aqueous solubility prediction. In addition, the three appendices provide a lot of useful information for the reader.

Biographie de l'auteur

Dr. P. Jain is a Senior Scientist at Novartis Pharmaceuticals Corporation, East Hanover, NJ. He received his Ph.D. from University of Arizona. Dr. S. H. Yalkowsky is Professor of Pharmaceutical Sciences at the University of Arizona, Tucson, AZ.

Les informations fournies dans la section « A propos du livre » peuvent faire référence à une autre édition de ce titre.

Éditeur
VDM Verlag
Date d'édition
2009
Langue
anglais
ISBN 10 
3639162692
ISBN 13 
9783639162691
Reliure
Broché
Nombre de pages
120
Coordonnées du fabricant
non disponible
Personne responsable
non disponible

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9781243581129: Prediction of Aqueous Solubility from Scratch

Edition présentée

ISBN 10 :  1243581123 ISBN 13 :  9781243581129
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Couverture souple