A method of computationally enhanced detection of chromatogram regions with apparent high relative agonist activity

Research output: Contribution to journalArticle

Abstract

An occasional but difficult problem arises in drug discovery during a chromatographic analysis in which high background activity is associated with the presence of most eluting molecular species. This makes the isolation of material of high relative activity difficult. A computational method is shown that clarifies the identification of regions of the chromatogram of interest. The data for bioactivity and absorbance are normalized to percent of maximal response, filtered to raise very small or zero values to a minimal level, and the activity/absorbance ratio is plotted per fraction. The fractions with relatively high activity become evident. This technique is a helpful adjunct to existing graphical methods and provides an objective relationship between the data sets. It is simple to implement with Visual Basic and spreadsheet data, making it widely accessible. Copyright (C) 1999 Elsevier Science Inc.

Original languageEnglish
Pages (from-to)117-121
Number of pages5
JournalJournal of Pharmacological and Toxicological Methods
Volume40
Issue number2
DOIs
StatePublished - 1 Dec 1998

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Chromatographic analysis
Spreadsheets
Computational methods
Bioactivity
Drug Discovery
Chromatography
Datasets

Keywords

  • Chromatography
  • Computational method
  • Computers

Cite this

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title = "A method of computationally enhanced detection of chromatogram regions with apparent high relative agonist activity",
abstract = "An occasional but difficult problem arises in drug discovery during a chromatographic analysis in which high background activity is associated with the presence of most eluting molecular species. This makes the isolation of material of high relative activity difficult. A computational method is shown that clarifies the identification of regions of the chromatogram of interest. The data for bioactivity and absorbance are normalized to percent of maximal response, filtered to raise very small or zero values to a minimal level, and the activity/absorbance ratio is plotted per fraction. The fractions with relatively high activity become evident. This technique is a helpful adjunct to existing graphical methods and provides an objective relationship between the data sets. It is simple to implement with Visual Basic and spreadsheet data, making it widely accessible. Copyright (C) 1999 Elsevier Science Inc.",
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AB - An occasional but difficult problem arises in drug discovery during a chromatographic analysis in which high background activity is associated with the presence of most eluting molecular species. This makes the isolation of material of high relative activity difficult. A computational method is shown that clarifies the identification of regions of the chromatogram of interest. The data for bioactivity and absorbance are normalized to percent of maximal response, filtered to raise very small or zero values to a minimal level, and the activity/absorbance ratio is plotted per fraction. The fractions with relatively high activity become evident. This technique is a helpful adjunct to existing graphical methods and provides an objective relationship between the data sets. It is simple to implement with Visual Basic and spreadsheet data, making it widely accessible. Copyright (C) 1999 Elsevier Science Inc.

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