Applications of Artificial Intelligence: Relationships between Mass Spectra and Pharmacological Activity of Drugs
- 27 April 1973
- journal article
- other
- Published by American Association for the Advancement of Science (AAAS) in Science
- Vol. 180 (4084), 417-420
- https://doi.org/10.1126/science.180.4084.417
Abstract
The possibility that the mass spectrum and pharmacological activity of a compound may be directly related has been explored with the help of various computer-based pattern-recognition techniques. The relationship appears to hold at least for tranquilizers and sedatives, and compounds with one or the other of these two pharmacological activities can thus be classified from their mass spectra with a high degree of accuracy.Keywords
This publication has 3 references indexed in Scilit:
- Pattern recognition. Powerful approach to interpreting chemical dataJournal of the American Chemical Society, 1972
- K-Nearest Neighbor Classification Rule (pattern recognition) applied to nuclear magnetic resonance spectral interpretationAnalytical Chemistry, 1972
- THE USE OF MULTIPLE MEASUREMENTS IN TAXONOMIC PROBLEMSAnnals of Eugenics, 1936