Literature DB >> 18502135

High throughput solubility determination with application to selection of compounds for fragment screening.

Nicola Colclough1, Alison Hunter, Peter W Kenny, Rod S Kittlety, Lynsey Lobedan, Kin Y Tam, Mark A Timms.   

Abstract

The development and application of a high throughput aqueous solubility assay is reported. Measurements for up to 637 compounds can be made in a fully automated experiment. Results from this assay were used to quantify risk of unacceptable solubility as a function of lipophilicity for neutral fragment-like compounds. Assessment of risk of unacceptable solubility was combined with experimental solubility measurement to select compounds for inclusion in a fragment-screening library.

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Year:  2008        PMID： 18502135     DOI： 10.1016/j.bmc.2008.05.021

Source DB:  PubMed          Journal:  Bioorg Med Chem        ISSN： 0968-0896            Impact factor:   3.641


  4 in total

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Authors:  Niklas Blomberg; David A Cosgrove; Peter W Kenny; Karin Kolmodin
Journal:  J Comput Aided Mol Des       Date:  2009-03-13       Impact factor: 3.686

2.  Interpreting physicochemical experimental data sets.

Authors:  Nicola Colclough; Mark C Wenlock
Journal:  J Comput Aided Mol Des       Date:  2015-06-09       Impact factor: 3.686

3.  Inflation of correlation in the pursuit of drug-likeness.

Authors:  Peter W Kenny; Carlos A Montanari
Journal:  J Comput Aided Mol Des       Date:  2013-01-10       Impact factor: 3.686

4.  Guidelines for the welfare and use of animals in cancer research.

Authors:  P Workman; E O Aboagye; F Balkwill; A Balmain; G Bruder; D J Chaplin; J A Double; J Everitt; D A H Farningham; M J Glennie; L R Kelland; V Robinson; I J Stratford; G M Tozer; S Watson; S R Wedge; S A Eccles
Journal:  Br J Cancer       Date:  2010-05-25       Impact factor: 7.640
  4 in total

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