%0 Book Section %1 langdon:2004:ECDM %A Langdon, W. B. %A Barrett, S. J. %B Evolutionary Computing in Data Mining %D 2004 %E Ghosh, Ashish %E Jain, Lakhmi C. %I Springer %K ADMET ROC algorithms, discovery, drug fitness, genetic programming, %P 211--235 %T Genetic Programming in Data Mining for Drug Discovery %U http://www.springeronline.com/sgw/cda/frontpage/0,11855,5-175-22-33980376-0,00.html %V 163 %X Genetic programming (GP) is used to extract from rat oral bioavailability (OB) measurements simple, interpretable and predictive QSAR models which both generalise to rats and to marketed drugs in humans. Receiver Operating Characteristics (ROC) curves for the binary classifier produced by machine learning show no statistical difference between rats (albeit without known clearance differences) and man. Thus evolutionary computing offers the prospect of in silico ADME screening e.g. for virtual chemicals, for pharmaceutical drug discovery. %& 10 %@ 3-540-22370-3

@incollection{langdon:2004:ECDM, abstract = {Genetic programming (GP) is used to extract from rat oral bioavailability (OB) measurements simple, interpretable and predictive QSAR models which both generalise to rats and to marketed drugs in humans. Receiver Operating Characteristics (ROC) curves for the binary classifier produced by machine learning show no statistical difference between rats (albeit without known clearance differences) and man. Thus evolutionary computing offers the prospect of in silico ADME screening e.g. for virtual chemicals, for pharmaceutical drug discovery.}, added-at = {2008-06-19T17:35:00.000+0200}, author = {Langdon, W. B. and Barrett, S. J.}, biburl = {https://www.bibsonomy.org/bibtex/20cd893e4c28137895654ed04f0693172/brazovayeye}, booktitle = {Evolutionary Computing in Data Mining}, chapter = 10, editor = {Ghosh, Ashish and Jain, Lakhmi C.}, interhash = {bb8885aea177cd6a00833010b133dbcc}, intrahash = {0cd893e4c28137895654ed04f0693172}, isbn = {3-540-22370-3}, keywords = {ADMET ROC algorithms, discovery, drug fitness, genetic programming,}, notes = {wbl_bioavail postscript and PDF page numbering and figures NOT identical to published book}, pages = {211--235}, publisher = {Springer}, series = {Studies in Fuzziness and Soft Computing}, size = {25 pages}, timestamp = {2008-06-19T17:45:02.000+0200}, title = {Genetic Programming in Data Mining for Drug Discovery}, url = {http://www.springeronline.com/sgw/cda/frontpage/0,11855,5-175-22-33980376-0,00.html}, volume = 163, year = 2004 }