A comprehensive approach to database management of quantitative structure-activity relationships (QSAR) in chemistry and biology
- 1 January 1994
- conference paper
- Published by Institute of Electrical and Electronics Engineers (IEEE)
- Vol. 5, 193-202
- https://doi.org/10.1109/hicss.1994.323577
Abstract
Many quantitative structure-activity relationships (QSARs) have been published in pure organic chemistry as well as from biological sources since 1935 when Hammett introduced his equation. We have organized a database of about 6,000 QSARs about evenly divided from both sources. We discuss how the database can be searched for different types of QSAR and how this facilitates comparison of new QSARs with published results.Keywords
This publication has 8 references indexed in Scilit:
- Quantitative structure-activity relationships and the unnamed scienceAccounts of Chemical Research, 1993
- Linear free energy relationships in the thiophen series. Part I. Leaving group effect in piperidino-substitution in methanol of some 2-L-3-nitro-5-X-thiophensJournal of the Chemical Society, Perkin Transactions 2, 1975
- Computerized Management of Structure-Activity Data. III. Computerized Decoding and Manipulation of Ring Structures Coded in WLNJournal of Chemical Documentation, 1974
- Relative reactivities of primary alcohols as substrates of liver alcohol dehydrogenaseCanadian Journal of Biochemistry, 1968
- Steric Effects in the Hydrolysis of N-Acylimidazoles and Esters of p-NitrophenolJournal of the American Chemical Society, 1965
- A Comparison of the Bimolecular and Intramolecular Nucleophilic Catalysis of the Hydrolysis of Substituted Phenyl Acylates by the Dimethylamino GroupJournal of the American Chemical Society, 1963
- The SN Mechanism in Aromatic Compounds. XXII. The Activating Power of para CHO and CN GroupsJournal of the American Chemical Society, 1957
- A Reëxamination of the Hammett Equation.Chemical Reviews, 1953