Information resources for liposome research: The drug discovery program of the u.s. national cancer institute

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Abstract
Between April 1990 and June 1995, the National Cancer Institute (NCI) has screened 46,598 chemical compounds for activity against 60 human cancer cell lines from different organs. The resulting database of activity profiles is complemented by a second database containing 2-D and 3-D structural descriptors of those compounds, along with structural descriptors of 440,000 additional molecules. A third database contains molecular characteristics of the 60 cell lines, assessed at the levels of mRNA expression, protein expression, and/or function. These databases can be mapped into each other, generating patterns of correlation among structures, activity profiles, and targets. Of the compounds tested, 1,361 are lipids with aliphatic chains at least 10 carbons long; other compounds tested have properties that may make them interesting candidates for inclusion in liposomes or other carriers.