Evolutionary computational methods to predict oral bioavailability QSPRs

Created by W.Langdon from gp-bibliography.bib Revision:1.7630

@Article{bains:2002:CODDD,

• author = "William Bains and Richard Gilbert and Lilya Sviridenko and Jose-Miguel Gascon and Robert Scoffin and Kris Birchall and Inman Harvey and John Caldwell",
• title = "Evolutionary computational methods to predict oral bioavailability {QSPRs}",
• journal = "Current Opinion in Drug Discovery and Development",
• year = "2002",
• volume = "5",
• number = "1",
• pages = "44--51",
• month = jan,
• keywords = "genetic algorithms, genetic programming",
• ISSN = "1367-6733",
• broken = "http://www.labome.org/expert/bains/w-bains-570643.html",
• abstract = "This review discusses evolutionary and adaptive methods for predicting oral bioavailability (OB) from chemical structure. Genetic Programming (GP), a specific form of evolutionary computing, is compared with some other advanced computational methods for OB prediction. The results show that classifying drugs into 'high' and 'low' OB classes on the basis of their structure alone is solvable, and initial models are already producing output that would be useful for pharmaceutical research. The results also suggest that quantitative prediction of OB will be tractable. Critical aspects of the solution will involve the use of techniques that can: (i) handle problems with a very large number of variables (high dimensionality); (ii) cope with 'noisy' data; and (iii) implement binary choices to sub-classify molecules with behavior that are qualitatively different. Detailed quantitative predictions will emerge from more refined models that are hybrids derived from mechanistic models of the biology of oral absorption and the power of advanced computing techniques to predict the behavior of the components of those models in silico.",
• notes = "PMID: 11865672 [PubMed - indexed for MEDLINE] Amedis Pharmaceuticals. Review, Tutorial

  http://www.ncbi.nlm.nih.gov/nlmcatalog?term=1367-6733[ISSN]

  Oct 2016 Curr Opin Drug Discov Devel seems to have published from 1998 to 2010.

  ",

}

Genetic Programming entries for William Bains Richard J Gilbert Lilya Sviridenko Jose-Miguel Gascon Robert Scoffin Kris Birchall Inman Harvey John Caldwell

Citations