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The use of mass spectrometric data to predict biological activity
Author(s) -
Brent David A.,
Roth Barbara,
Johnson Robert L.,
Brunner Thomas R.
Publication year - 1981
Publication title -
biomedical mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.475
H-Index - 121
eISSN - 1096-9888
pISSN - 0306-042X
DOI - 10.1002/bms.1200080916
Subject(s) - mass spectrum , correlation , mass spectrometry , chemistry , chromatography , mathematics , geometry
The mass spectra of 75 analogs of trimethoprim were used in a study correlating mass spectrometric data with biological activity. Using pattern recognition techniques a correlation was obtained. Experiments to elaborate the basis of the correlation are described.