Target prediction utilising negative bioactivity data covering large chemical space
نویسندگان
چکیده
منابع مشابه
Target prediction utilising negative bioactivity data covering large chemical space
BACKGROUND In silico analyses are increasingly being used to support mode-of-action investigations; however many such approaches do not utilise the large amounts of inactive data held in chemogenomic repositories. The objective of this work is concerned with the integration of such bioactivity data in the target prediction of orphan compounds to produce the probability of activity and inactivit...
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Motivation In silico approaches often fail to utilize bioactivity data available for orthologous targets due to insufficient evidence highlighting the benefit for such an approach. Deeper investigation into orthologue chemical space and its influence toward expanding compound and target coverage is necessary to improve the confidence in this practice. Results Here we present analysis of the o...
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ژورنال
عنوان ژورنال: Journal of Cheminformatics
سال: 2015
ISSN: 1758-2946
DOI: 10.1186/s13321-015-0098-y