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Author Details

Scott Boyer
Swedish Toxicology Sciences Research Center, Karolinska Institutet
2002
51
27
Timothy Clark (CM4AI)
PMIDPaper TitleJournal TitlePublished Year
32074470CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity.Environ Health Perspect2020
30570669Optimizing drug discovery by Investigative Toxicology: Current and future trends.ALTEX2019
28019033Evidence for the hERG Liability of Antihistamines, Antipsychotics, and Anti-Infective Agents: A Systematic Literature Review From the ARITMO Project.J Clin Pharmacol2017
28135672Binary classification of imbalanced datasets using conformal prediction.J Mol Graph Model2017
28453775Deconvoluting Kinase Inhibitor Induced Cardiotoxicity.Toxicol Sci2017
26867187Behavioural toxicity assessment of silver ions and nanoparticles on zebrafish using a locomotion profiling approach.Aquat Toxicol2016
26642869Flagging Drugs That Inhibit the Bile Salt Export Pump.Mol Pharm2016
27152554Conformal Prediction Classification of a Large Data Set of Environmental Chemicals from ToxCast and Tox21 Estrogen Receptor Assays.Chem Res Toxicol2016
25559551Introducing conformal prediction in predictive modeling for regulatory purposes. A transparent and flexible alternative to applicability domain determination.Regul Toxicol Pharmacol2015
24460242Choosing feature selection and learning algorithms in QSAR.J Chem Inf Model2014
25275755Computational derivation of structural alerts from large toxicology data sets.J Chem Inf Model2014
24797111Introducing conformal prediction in predictive modeling. A transparent and flexible alternative to applicability domain determination.J Chem Inf Model2014
24490838Assessment of machine learning reliability methods for quantifying the applicability domain of QSAR regression models.J Chem Inf Model2014
23208789The EU-ADR Web Platform: delivering advanced pharmacovigilance tools.Pharmacoepidemiol Drug Saf2013
27481022Exploiting Pharmacological Similarity to Identify Safety Concerns - Listen to What the Data Tells You.Mol Inform2013
24349421Gathering and exploring scientific knowledge in pharmacovigilance.PLoS One2013
23845139Localized heuristic inverse quantitative structure activity relationship with bulk descriptors using numerical gradients.J Chem Inf Model2013
24015213Drug-induced acute myocardial infarction: identifying 'prime suspects' from electronic healthcare records-based surveillance system.PLoS One2013
23669331Use of in silico systems and expert knowledge for structure-based assessment of potentially mutagenic impurities.Regul Toxicol Pharmacol2013
23808970Improving data and knowledge management to better integrate health care and research.J Intern Med2013
22157355Application of data mining and visualization techniques for the prediction of drug-induced nausea in man.Toxicol Sci2012
27476962Benchmarking Variable Selection in QSAR.Mol Inform2012
22745636Phospholipogenic pharmaceuticals are associated with a higher incidence of histological findings than nonphospholipogenic pharmaceuticals in preclinical toxicology studies.J Toxicol2012
22496632Automatic filtering and substantiation of drug safety signals.PLoS Comput Biol2012
21430064The incidence of positive results in the mouse lymphoma TK assay (MLA) in pharmaceutical screening and their prediction by MultiCase MC4PC.Mutagenesis2011
21774475Integrated decision support for assessing chemical liabilities.J Chem Inf Model2011
21798025AZOrange - High performance open source machine learning for QSAR modeling in a graphical programming environment.J Cheminform2011
20218538Evaluation of quantitative structure-activity relationship modeling strategies: local and global models.J Chem Inf Model2010
20594327Use of historic metabolic biotransformation data as a means of anticipating metabolic sites using MetaPrint2D and Bioclipse.BMC Bioinformatics2010
19536101A crowdsourcing evaluation of the NIH chemical probes.Nat Chem Biol2009
19877655A method for automated molecular optimization applied to Ames mutagenicity data.J Chem Inf Model2009
20017577The use of computer models in pharmaceutical safety evaluation.Altern Lab Anim2009
19824682Interpretation of nonlinear QSAR models applied to Ames mutagenicity data.J Chem Inf Model2009
20020921Understanding genetic toxicity through data mining: the process of building knowledge by integrating multiple genetic toxicity databases.Toxicol Mech Methods2008
17480215Applied information retrieval and multidisciplinary research: new mechanistic hypotheses in complex regional pain syndrome.J Biomed Discov Collab2007
17897040Connecting small molecules to nuclear receptor pathways.Curr Top Med Chem2007
18034311Generation of in-silico cytochrome P450 1A2, 2C9, 2C19, 2D6, and 3A4 inhibition QSAR models.J Comput Aided Mol Des2007
18028194Automatic mining of the literature to generate new hypotheses for the possible link between periodontitis and atherosclerosis: lipopolysaccharide as a case study.J Clin Periodontol2007
17302400Reaction site mapping of xenobiotic biotransformations.J Chem Inf Model2007
17384921Development, interpretation and temporal evaluation of a global QSAR of hERG electrophysiology screening data.J Comput Aided Mol Des2007
16523386Circular fingerprints: flexible molecular descriptors with applications from physical chemistry to ADME.IDrugs2006
17125212Ligand-based approach to in silico pharmacology: nuclear receptor profiling.J Chem Inf Model2006
15763566Illuminating drug discovery with biological pathways.FEBS Lett2005
16160233Practical Approaches to the Development of Biomedical Informatics: the INFOBIOMED Network of Excellence.Stud Health Technol Inform2005
16101416Chemical and biological profiling of an annotated compound library directed to the nuclear receptor family.Curr Top Med Chem2005
12606595In vivo CYP3A4 heteroactivation is a possible mechanism for the drug interaction between felbamate and carbamazepine.J Pharmacol Exp Ther2003
14557374Generation and evaluation of a CYP2C9 heteroactivation pharmacophore.J Pharmacol Exp Ther2003
12549677New methods in predictive metabolism.Mol Divers2002
12489687New methods in predictive metabolism.J Comput Aided Mol Des2002
12139462Discovery and optimization of a series of carbazole ureas as NPY5 antagonists for the treatment of obesity.J Med Chem2002
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Collaborators

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Co-authored papers 6
Jos?? Lu??s Oliveira
University of Aveiro
Co-authored papers 5
Laura I Furlong
Hospital del Mar Research Institute (IMIM), Pompeu Fabra University (UPF)
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Stanford University
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Mark A Musen
Stanford Center for Biomedical Informatics Research, Stanford University
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Martijn J Schuemie
University of California los angeles
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Cristian G Bologa
University of New Mexico School of Medicine
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Anthony J Brookes
University of Leicester
Co-authored papers 1
Kirk B Arvidson
Co-authored papers 1
Richard S Judson
Co-authored papers 1
Miguel A Mayer
Hospital del Mar Medical Research Institute
Co-authored papers 1
Amnon Shabo
Haifa University Campus
Co-authored papers 1
Thomas Hartung
University of Konstanz
Co-authored papers 1
Huixiao Hong
Co-authored papers 1
Alfonso Valencia
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Release 1.2