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Badapple: promiscuity patterns from noisy evidence

Authors: Jeremy J. Yang; Oleg Ursu; Christopher A. Lipinski; Larry A. Sklar; Tudor I. Oprea; Cristian Bologa;

Badapple: promiscuity patterns from noisy evidence

Abstract

Bioassay data analysis using scaffold associations. Presented at the UNM Staff Research Expo, Jan 27, 2017. High throughput screening (HTS) data analysis continues to be an essential, routine, yet challenging task in drug discovery: to infer reliable knowledge from big and noisy data. Bioassays require complex methodology, and results vary widely in accuracy, precision, and content. Hit selection criteria should optimize the overall probability of success in a project, and avoid expensive “false trails” such as promiscuous compounds. At UNMCMD, our experience in the NIH Molecular Libraries Project (MLP) motivated and informed this research.

Keywords

bioassay, cheminformatics, Physical and Theoretical Chemistry, Library and Information Sciences, Computer Graphics and Computer-Aided Design, Computer Science Applications, Research Article, drug discovery, high throughput screening

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selected citations
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This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
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