{"id":1113,"date":"2015-05-04T16:06:19","date_gmt":"2015-05-04T16:06:19","guid":{"rendered":"http:\/\/www.ukqsar.org\/?p=1113"},"modified":"2017-01-05T14:59:38","modified_gmt":"2017-01-05T14:59:38","slug":"pre-reading-spring-2015","status":"publish","type":"post","link":"https:\/\/ukqsar.org\/index.php\/2015\/05\/04\/pre-reading-spring-2015\/","title":{"rendered":"Pre-Reading Spring 2015"},"content":{"rendered":"<h3><strong>Suggested Pre-Reading List for the Spring 2015 Meeting<\/strong><\/h3>\n<h4><strong><em>Compiled by Thierry Hanser of Lhasa UK Ltd with contributions from the speakers listed below.\u00a0 The Committee would like to extend their thanks to everyone for their input.<\/em><\/strong><\/h4>\n<p><strong>Combining an expert system with machine learning to rank metabolites. <\/strong><\/p>\n<p>Edward Rosser<strong> (<\/strong>Lhasa Limited)<\/p>\n<ul>\n<li>Testa, B.; Balmat, A. L.; Long, A.; Judson, P. Predicting drug metabolism \u2013 an evaluation of the expert system METEOR. <em>Biodivers<\/em>. 2005, <em>2(7)<\/em>, 872-885.<\/li>\n<li>Button, W. G; Judson, P. N.; Long, A.; Vessey, J. D. Using absolute and relative reasoning in the prediction of the potential metabolism of xenobiotics. <em>Chem. Inf. Comput. Sci.<\/em> 2003, <em>43(5)<\/em>, 1371-1377.<\/li>\n<li><\/li>\n<\/ul>\n<p><strong>Using QSAR for metabolic network completion and metabolic engineering.<\/strong><\/p>\n<p>Jean-Loup Faulon (Institut of Systems &amp; Synthetic Biology<\/p>\n<ul>\n<li>Carbonell P, Parutto P, Herisson J, Pandit S.B, Faulon J.L. XTMS: pathway design in an eXTended metabolic space. <em>Nucleic Acids Res<\/em>. <em>in press<\/em> 2014, [PMID: 24792156].<\/li>\n<li>Faulon J.L., Misra M., Martin S., Sale, K., Sapra R.. Genome Scale Enzyme-metabolites and Drug-Target interaction predictions using the signature molecular descriptor, <em>Bioinformatics<\/em>, 24, 225-233, 2008.<\/li>\n<li>Fern\u00e1ndez-Castan\u00e9 A, Feh\u00e9r T, Carbonell P, Pauthenier C, Faulon J.L. Computer-aided design for metabolic engineering. <em>J Biotechnol<\/em>. <em>in press<\/em> 2014, [PMID: 24704607].<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n<p><strong>Drug Metabolism Prediction: Experiment and\/or Computation?<\/strong><\/p>\n<p>Johannes Kirchmair (Center for Bioinformatics, University of Hamburg)<\/p>\n<ul>\n<li>Johannes Kirchmair, Andreas H. G\u00f6ller, Dieter Lang, Jens Kunze, Bernard Testa, Ian D. Wilson, Robert C. Glen &amp; Gisbert Schneider. Predicting drug metabolism: experiment and\/or computation? Nature <em>Reviews Drug Discovery (2015) doi:10.1038\/nrd4581<\/em> Published online 24 April 2015<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n<p><strong>Use of Read-Across in Filling Data Gap for Assessments.<\/strong><\/p>\n<p>Nora Aptula (Safety and Environmental Assurance Centre)<\/p>\n<ul>\n<li>OECD (2007) Guidance document on grouping of chemicals, No 28.<\/li>\n<\/ul>\n<p>http:\/\/www.oecd.org\/officialdocuments\/publicdisplaydocumentpdf\/?doclanguage=en&#038;cote=env\/jm\/mono%282007%2928<\/p>\n<ul>\n<li>ECHA (2010) Practical guide 10: How to avoid unnecessary testing on animals.<\/li>\n<\/ul>\n<p><a href=\"http:\/\/echa.europa.eu\/documents\/10162\/13655\/pg_avoid_animal_testing_en.pdf\">http:\/\/echa.europa.eu\/documents\/10162\/13655\/pg_avoid_animal_testing_en.pdf<\/a><\/p>\n<p>&nbsp;<\/p>\n<p><strong>Identification of novel anti-convulsant drugs using a larval zebrafish model<\/strong><\/p>\n<p>Simon Hand (University of Sheffield)<\/p>\n<ul>\n<li>Baxendale, C. J. Holdsworth, P. L. Meza Santoscoy, M. R. M. Harrison, J. Fox,C. A. Parkin, P. W. Ingham, and V. T. Cunliffe, <em>Disease Models &amp; Mechanisms<\/em>, 2012, 01009, 1\u201312.<\/li>\n<li>C. Baraban, M. R. Taylor, P. A. Castro, and H. Baier, <em>Neuroscience<\/em>, 2005, 131, 759\u2013768<\/li>\n<\/ul>\n<p><strong>\u00a0<\/strong><\/p>\n<p><strong>Towards an MIE atlas \u2013 Tools for toxicity prediction<\/strong><\/p>\n<p>Tim Allen (Centre for Molecular Informatics, Department of Chemistry, University of Cambridge)<\/p>\n<ul>\n<li>T. Ankley, R.S. Bennett, R.J. Erickson, D.J. Hoff et al. (2007) Environ. Toxicol. Chem. 29; 730-741<\/li>\n<li>E.H Allen, J.M. Goodman, S. Gutsell, P. Russell. (2014) Chem. Res. Toxicol. 27 (12); 2100-2112<\/li>\n<\/ul>\n","protected":false},"excerpt":{"rendered":"<p>Suggested Pre-Reading List for the Spring 2015 Meeting Compiled by Thierry Hanser of Lhasa UK Ltd with contributions from the<\/p>\n","protected":false},"author":3,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"_jetpack_newsletter_access":"","_jetpack_dont_email_post_to_subs":false,"_jetpack_newsletter_tier_id":0,"_jetpack_memberships_contains_paywalled_content":false,"_jetpack_feature_clip_id":0,"_jetpack_memberships_contains_paid_content":false,"footnotes":"","jetpack_post_was_ever_published":false},"categories":[1],"tags":[],"class_list":["post-1113","post","type-post","status-publish","format-standard","hentry","category-uncategorized"],"aioseo_notices":[],"aioseo_head":"\n\t\t<!-- All in One SEO 5.0.1.1 - aioseo.com -->\n\t<meta name=\"robots\" content=\"max-image-preview:large\" \/>\n\t<meta name=\"author\" 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