Download PDF FlyerAbstract
SHS investigation development is considered from the geographical and historical viewpoint. 3 stages are described. Within Stage 1 the work was carried out in the Department of the Institute of Chemical Physics in Chernogolovka where the scientific discovery had been made. At Stage 2 the interest to SHS arose in different cities and towns of the former USSR. Within Stage 3 SHS entered the international scene. Now SHS processes and products are being studied in more than 50 countries.
Abstract
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.
Keywords:
Computational intelligence, evolutionary algorithms, artificial neural networks, fuzzy logic, machine learning, support vector machines, QSPR, ADME-tox, high-throughput screening, virtual screening
Recommended Chapters
We recommend
Authors:Bentham Science Books