Bookcover of Prediction of Aqueous Solubility from SCRATCH
Booktitle:

Prediction of Aqueous Solubility from SCRATCH

A new approach for solubility estimation

VDM Verlag Dr. Müller (2009-06-26 )

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ISBN-13:

978-3-639-16269-1

ISBN-10:
3639162692
EAN:
9783639162691
Book language:
English
Blurb/Shorttext:
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.
Publishing house:
VDM Verlag Dr. Müller
Website:
http://www.vdm-verlag.de
By (author) :
Parijat Jain
Number of pages:
120
Published at:
2009-06-26
Stock:
Available
Category:
Chemistry
Price:
49.00 €
Keywords:
Solubility, Solubilization, SCRATCH, prediction, Model, Melting Points, Aqueous activity coefficients, thermodynamics, Aqueous activity coefficients

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