Prediction of Intestinal Absorption and Blood-Brain Barrier Penetration by Computational Methods

Author: Clark D.E.

Source: Combinatorial Chemistry & High Throughput Screening, Volume 4, Number 6, September 2001 , pp. 477-496(21)

Publisher: Bentham Science Publishers

Abstract:

This review surveys the computational methods that have been developed with the aim of identifying drug candidates likely to fail later on the road to market. The specifications for such computational methods are outlined, including factors such as speed, interpretability, robustness and accuracy. Then, computational filters aimed at predicting drug-likenessin a general sense are discussed before methods for the prediction of more specific properties - intestinal absorption and blood-brain barrier penetration - are reviewed. Directions for future research are discussed and, in concluding, the impact of these methods on the drug discovery process, both now and in the future, is briefly considered.

Keywords: intestinal absorption; blood brain barrier; absorption distribution metabolism; elimination adme; accuracy; false negative predictions; false positive predictions; non drug; genetic algorithms; decision trees; pasad

Language: English

Document Type: Review article

DOI: http://dx.doi.org/10.2174/1386207013330850

Publication date: 2001-09-01

• Combinatorial Chemistry & High Throughput Screening publishes full length original research articles and reviews describing various topics in combinatorial chemistry (e.g. small molecules, peptide, nucleic acid or phage display libraries) and/or high throughput screening (e.g. developmental, practical or theoretical). Ancillary subjects of key importance, such as robotics and informatics, will also be covered by the journal. In these respective subject areas, Combinatorial Chemistry & High Throughput Screening is intended to function as the most comprehensive and up-to-date medium available. The journal should be of value to individuals engaged in the process of drug discoveryand development, in the settings of industry, academia or government.

• In this: publication
• By this: publisher
• In this Subject: Pharmacology
• By this author: Clark D.E.

Website © Publishing Technology. Article copyright remains with the publisher, society or author(s) as specified within the article.

• Terms and conditions
• Privacy policy
• Information for advertisers