RT Journal Article SR Electronic T1 Neural computing in cancer drug development: predicting mechanism of action JF Science JO Science FD American Association for the Advancement of Science SP 447 OP 451 DO 10.1126/science.1411538 VO 258 IS 5081 A1 Weinstein, JN A1 Kohn, KW A1 Grever, MR A1 Viswanadhan, VN A1 Rubinstein, LV A1 Monks, AP A1 Scudiero, DA A1 Welch, L A1 Koutsoukos, AD A1 Chiausa, AJ A1 et, al. YR 1992 UL http://science.sciencemag.org/content/258/5081/447.abstract AB Described here are neural networks capable of predicting a drug's mechanism of action from its pattern of activity against a panel of 60 malignant cell lines in the National Cancer Institute's drug screening program. Given six possible classes of mechanism, the network misses the correct category for only 12 out of 141 agents (8.5 percent), whereas linear discriminant analysis, a standard statistical technique, misses 20 out of 141 (14.2 percent). The success of the neural net indicates several things. (i) The cell line response patterns are rich in information about mechanism. (ii) Appropriately designed neural networks can make effective use of that information. (iii) Trained networks can be used to classify prospectively the more than 10,000 agents per year tested by the screening program. Related networks, in combination with classical statistical tools, will help in a variety of ways to move new anticancer agents through the pipeline from in vitro studies to clinical application.