Title :
A comprehensive approach to database management of quantitative structure-activity relationships (QSAR) in chemistry and biology
Author :
Hoekman, David ; Leo, Albert ; Li, Peng ; Zhang, Litai ; Hansch, Corwin
Author_Institution :
Dept. of Chem., Pomona Coll., Claremont, CA, USA
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 :
biology computing; chemistry computing; collections of physical data; database management systems; molecular biophysics; molecular configurations; physics computing; Hammett´s equation; biological sources; database management; database searching; organic chemistry; quantitative structure-activity relationships;
Conference_Titel :
System Sciences, 1994. Proceedings of the Twenty-Seventh Hawaii International Conference on
Conference_Location :
Wailea, HI, USA
Print_ISBN :
0-8186-5090-7
DOI :
10.1109/HICSS.1994.323577
