The National Cancer Institute (NCI) Human Tumor Cell Line Anti-Cancer Drug Screen was established in the late 1980s with the purpose of identifying new anti-cancer drugs (review in Monks et al. 1997). To date the antiproliferative activity of over 70,000 compounds has been measured on the 60 human tumour cell lines panel. Dr. Kenneth Paull conceived a computerised pattern-recognition algorithm, named COMPARE, to allow the identification of new chemotypes that can act through a cellular target similar to that of a reference or "seed" compound (Paull 1992, 1995). In 1997 we used COM-
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