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ChemInform Abstract: In silico pKa Prediction and ADME Profiling

✍ Scribed by Gabriele Cruciani; Francesca Milletti; Loriano Storchi; Gianluca Sforna; Laura Goracci

Book ID
102041407
Publisher
John Wiley and Sons
Year
2010
Weight
15 KB
Volume
41
Category
Article
ISSN
0931-7597

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✦ Synopsis

Abstract

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a β€œFull Text” option. The original article is trackable via the β€œReferences” option.

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In silico pKa Prediction and ADME Profil
In silico pKa Prediction and ADME Profiling
✍ Gabriele Cruciani; Francesca Milletti; Loriano Storchi; Gianluca Sforna; Laura G πŸ“‚ Article πŸ“… 2009 πŸ› John Wiley and Sons 🌐 English βš– 495 KB

## Abstract Improving the ADME profile of drug candidates is a critical step in lead optimization, and because p__K__~a~ affects most ADME properties such as lipophilicity, solubility, and metabolism, it is extremely advantageous to predict p__K__~a~ in order to guide the design of new compounds. H