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Issue 11, 2017
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Dark chemical matter in public screening assays and derivation of target hypotheses

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Abstract

Compounds that are consistently inactive in many screening assays, so-called dark chemical matter (DCM), have recently experienced increasing attention. One of the reasons is that many DCM compounds may not be fully inert biologically, but may provide interesting leads for obtaining compounds that are highly selective or active against unusual targets. In this study, we have systematically identified DCM among extensively assayed screening compounds and searched for analogs of these compounds that have known bioactivities. Analog series containing DCM and known bioactive compounds were generated on a large scale, making it possible to derive target hypotheses for more than 8000 extensively assayed DCM molecules.

Graphical abstract: Dark chemical matter in public screening assays and derivation of target hypotheses

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Publication details

The article was received on 18 Aug 2017, accepted on 20 Oct 2017 and first published on 26 Oct 2017


Article type: Research Article
DOI: 10.1039/C7MD00426E
Citation: Med. Chem. Commun., 2017,8, 2100-2104
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    Dark chemical matter in public screening assays and derivation of target hypotheses

    S. Jasial and J. Bajorath, Med. Chem. Commun., 2017, 8, 2100
    DOI: 10.1039/C7MD00426E

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