The use of mass spectrometric data to predict biological activity.
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.
D000818:Animals; D004926:Escherichia coli / Q000201:enzymology; D005493:Folic Acid Antagonists; D008099:Liver / Q000201:enzymology; D013058:Mass Spectrometry; D051381:Rats; D013329:Structure-Activity Relationship; D014295:Trimethoprim / Q000031:analogs & derivatives* / Q000494:pharmacology
D005493:Folic Acid Antagonists; D014295:Trimethoprim