Chapter 15

Computational Intelligence Methods for ADMET Prediction

David Hecht and Gary B. Fogel


<p>Quantitative structure-property relationship (QSPR) models have proven to be an effective approach for increasing the efficiency of small molecule drug discovery and development processes. Despite their importance to drug discovery, difficulties remain in the appropriate selection and weighting of descriptors, determination of appropriate descriptor combinations, and optimization strategies that can increase the value of QSPR models. Here we review the utility of some of the more popular applications of computational intelligence to QSPR modeling including: artificial neural networks, fuzzy logic, and evolutionary computing.</p>

Total Pages: 351-377 (27)

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