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van der Horst, E. (author), Peironcely, J.E. (author), van Westen, G.J.P. (author), van den Hoven, O.O. (author), Galloway, W.R.J.D. (author), Spring, D.R. (author), Wegner, J.K. (author), van Vlijmen, H.W.T. (author), Ijzerman, A.P. (author), Overington, J.P. (author), Bender, A. (author)
Chemogenomic approaches, which link ligand chemistry to bioactivity against targets (and, by extension, to phenotypes) are becoming more and more important due to the increasing number of bioactivity data available both in proprietary databases as well as in the public domain. In this article we review chemogenomics approaches applied in four...
article 2011
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Peironcely, J.E. (author), Reijmers, T. (author), Coulier, L. (author), Bender, A. (author), Hankemeier, T. (author)
While the entirety of 'Chemical Space' is huge (and assumed to contain between 1063 and 10200 'small molecules'), distinct subsets of this space can nonetheless be defined according to certain structural parameters. An example of such a subspace is the chemical space spanned by endogenous metabolites, defined as 'naturally occurring' products of...
article 2011