Matched Molecular Series: Measuring SAR Similarity
Sign Up to like & getrecommendations! Published in 2017 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.6b00709
Abstract: Suggesting novel compounds to be made on the basis of similarity to a previously seen structure-activity relationship (SAR) requires a measure for SAR similarity. While SAR similarity has intuitively been used by medicinal chemists for… read more here.
Keywords: molecular series; similarity; similarity metrics; matched molecular ... See more keywords
The use of matched molecular series networks for cross target structure activity relationship translation and potency prediction.
Sign Up to like & getrecommendations! Published in 2017 at "MedChemComm"
DOI: 10.1039/c7md00465f
Abstract: Matched molecular series (MMS) analysis is an extension of matched molecular pair (MMP) analysis where all of the MMPs belong to the same chemical series. An MMS within a biological assay is able to capture… read more here.
Keywords: molecular series; mms analysis; mms; series ... See more keywords