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翻訳と辞書　辞書検索 [ 開発暫定版 ] スポンサード リンク Matched molecular pair analysis ： ウィキペディア英語版 Matched molecular pair analysis Matched Molecular Pair Analysis (MMPA) is a method in Cheminformatics whereby the pedigree of structural changes, within drug like small molecules, is established based on real measured data. The term was first coined by Kenny and Sadowski in their book titled "Chemoinformatics in Drug Discovery".〔P.W. Kenny, J. Sadowski,Chemoinformatics in Drug Discovery,Wiley-VCH Verlag GmbH & Co. KGaA (2005), pp. 271–285〕 Basic notion of MMPA based analysis is analyzing chemical datasets dealing with pairs of compounds. Such pairs of compounds are known as Matched Molecular Pair (MMP). ==Introduction== MMP can be defined as a pair of molecules that differ in only a minor single point change (See Fig 1). Matched molecular pairs (MMPs) are widely used in Medicinal chemistry to study changes in compound properties which includes biological activity, toxicity, environmental hazards and much more, which are associated with well-defined structural modifications. Single point changes in the molecule pairs are termed a chemical transformation or Molecular transformation. Each molecular pair is associated with a particular transformation. An example of transformation is the replacement of one functional group by another. More specifically, molecular transformation can be defined as the replacement of a molecular fragment having one, two or three attachment points with another fragment. Useful Molecular transformation in a specified context is termed as “Significant” transformations. For example, a transformation may systematically decrease or increase a desired property of chemical compounds. Transformations that affect a particular property/activity in a statistically significant sense are called as significant transformations. The transformation is considered significant, if it increases the property value “more often” than it decreases it or vice versa. Thus, the distribution of increasing and decreasing pairs should be significantly different from the binomial (“no effect”) distribution with a particular pvalue (usually 0.05). 抄文引用元・出典: フリー百科事典『 ウィキペディア（Wikipedia）』 ■ウィキペディアで「Matched molecular pair analysis」の詳細全文を読む スポンサード リンク 翻訳と辞書 : 翻訳のためのインターネットリソース Copyright(C) kotoba.ne.jp 1997-2016. All Rights Reserved.