A comprehensive approach to database management of quantitative structure-activity relationships (QSAR) in chemistry and biology

摘要

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.