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Mechanistic Applicability Domain Classification of a Local Lymph Node Assay Dataset for Skin Sensitization
Roberts, David W, Patlewicz, Grace, Kern, Petra S, Gerberick, Frank, Kimber, Ian, Dearman, Rebecca J, Ryan, Cindy A, Basketter, David A, Aptula, Aynur O
Published in Chemical research in toxicology (01.07.2007)
Published in Chemical research in toxicology (01.07.2007)
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Journal Article
Electrophilic Chemistry Related to Skin Sensitization. Reaction Mechanistic Applicability Domain Classification for a Published Data Set of 106 Chemicals Tested in the Mouse Local Lymph Node Assay
Roberts, David W, Aptula, Aynur O, Patlewicz, Grace
Published in Chemical research in toxicology (01.01.2007)
Published in Chemical research in toxicology (01.01.2007)
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Journal Article
Skin Sensitization: Reaction Mechanistic Applicability Domains for Structure−Activity Relationships
Aptula, Aynur O, Patlewicz, Grace, Roberts, David W
Published in Chemical research in toxicology (01.09.2005)
Published in Chemical research in toxicology (01.09.2005)
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Journal Article
Experimental Reactivity Parameters for Toxicity Modeling: Application to the Acute Aquatic Toxicity of SN2 Electrophiles to Tetrahymena pyriformis
Roberts, David W, Schultz, T. Wayne, Wolf, Erika M, Aptula, Aynur O
Published in Chemical research in toxicology (18.01.2010)
Published in Chemical research in toxicology (18.01.2010)
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Journal Article
Comparative assessment of methods to develop QSARs for the prediction of the toxicity of phenols to Tetrahymena pyriformis
Cronin, Mark T.D, Aptula, Aynur O, Duffy, Judith C, Netzeva, Tatiana I, Rowe, Philip H, Valkova, Iva V, Wayne Schultz, T
Published in Chemosphere (Oxford) (01.12.2002)
Published in Chemosphere (Oxford) (01.12.2002)
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Journal Article
Conference Proceeding
Chemical applicability domain of the Local Lymph Node Assay (LLNA) for skin sensitisation potency. Part 2. The biological variability of the murine Local Lymph Node Assay (LLNA) for skin sensitisation
Roberts, David W., Api, Anne Marie, Aptula, Aynur O.
Published in Regulatory toxicology and pharmacology (01.10.2016)
Published in Regulatory toxicology and pharmacology (01.10.2016)
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Journal Article
Mechanistic Applicability Domains for Non-Animal Based Prediction of Toxicological Endpoints. QSAR Analysis of the Schiff Base Applicability Domain for Skin Sensitization
Roberts, David W, Aptula, Aynur O, Patlewicz, Grace
Published in Chemical research in toxicology (18.09.2006)
Published in Chemical research in toxicology (18.09.2006)
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Journal Article
From Experiment to Theory: Molecular Orbital Parameters to Interpret the Skin Sensitization Potential of 5-Chloro-2-methylisothiazol-3-one and 2-Methylisothiazol-3-one
Aptula, Aynur O, Roberts, David W, Cronin, Mark T. D
Published in Chemical research in toxicology (01.02.2005)
Published in Chemical research in toxicology (01.02.2005)
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Journal Article
Chemical Mechanisms for Skin Sensitization by Aromatic Compounds with Hydroxy and Amino Groups
Aptula, Aynur O, Enoch, Steven J, Roberts, David W
Published in Chemical research in toxicology (21.09.2009)
Published in Chemical research in toxicology (21.09.2009)
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Journal Article
Verification of the Structural Alerts for Michael Acceptors
Schultz, T. Wayne, Yarbrough, Jason W, Hunter, Robert S, Aptula, Aynur O
Published in Chemical research in toxicology (01.09.2007)
Published in Chemical research in toxicology (01.09.2007)
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Journal Article
Non-enzymatic glutathione reactivity and in vitro toxicity: A non-animal approach to skin sensitization
Aptula, Aynur O., Patlewicz, Grace, Roberts, David W., Schultz, T.W.
Published in Toxicology in vitro (01.03.2006)
Published in Toxicology in vitro (01.03.2006)
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Journal Article
Structure-Based Classification of Antibacterial Activity
Cronin, Mark T. D, Aptula, Aynur O, Dearden, John C, Duffy, Judith C, Netzeva, Tatiana I, Patel, Hiren, Rowe, Philip H, Schultz, T. Wayne, Worth, Andrew P, Voutzoulidis, Konstantinos, Schüürmann, Gerrit
Published in Journal of Chemical Information and Computer Sciences (01.07.2002)
Published in Journal of Chemical Information and Computer Sciences (01.07.2002)
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Journal Article