Case study: Matched molecular pairs approach in QSAR modelling

Abstract

Modern drug discovery organizations generate large volumes of SAR data. A promising methodology that can be used to mine this chemical data to identify novel structure-activity relationships is the matched molecular pair (MMP) methodology. However, before the full potential of the MMP methodology can be utilized, a MMP identification method that is capable of identifying all MMPs in large chemical data sets on modest computational hardware is required.

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Identifiers

DOI

10.1109/icisct.2017.8188583

Citations and references