Guidance for good practice in the application of machine learning in development of toxicological quantitative structure-activity relationships (QSARs) von Belfield, Samuel J, Cronin, Mark T D, Enoch, Steven J, Firman, James W

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Quantitative structure − skin permeability relationships von Tsakovska, Ivanka, Pajeva, Ilza, Al Sharif, Merilin, Alov, Petko, Fioravanzo, Elena, Kovarich, Simona, Worth, Andrew P, Richarz, Andrea-Nicole, Yang, Chihae, Mostrag-Szlichtyng, Aleksandra, Cronin, Mark T.D

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In Silico Identification of Chemicals Capable of Binding to the Ecdysone Receptor von Mellor, Claire L., Tollefsen, Knut Erik, LaLone, Carlie, Cronin, Mark T.D., Firman, James W.

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Free radicals and antioxidants in normal physiological functions and human disease von Valko, Marian, Leibfritz, Dieter, Moncol, Jan, Cronin, Mark T.D., Mazur, Milan, Telser, Joshua

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Novel approach for efficient predictions properties of large pool of nanomaterials based on limited set of species: nano-read-across von Gajewicz, Agnieszka, Cronin, Mark T.D, Rasulev, Bakhtiyor, Leszczynski, Jerzy, Puzyn, Tomasz

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(Q)SARs to predict environmental toxicities: current status and future needs von Cronin, Mark T. D

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Identification and description of the uncertainty, variability, bias and influence in quantitative structure-activity relationships (QSARs) for toxicity prediction von Cronin, Mark T.D., Richarz, Andrea-Nicole, Schultz, Terry W.

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Comparative assessment of methods to develop QSARs for the prediction of the toxicity of phenols to Tetrahymena pyriformis von Cronin, Mark T.D, Aptula, Aynur O, Duffy, Judith C, Netzeva, Tatiana I, Rowe, Philip H, Valkova, Iva V, Wayne Schultz, T

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Methods for Reliability and Uncertainty Assessment and for Applicability Evaluations of Classification- and Regression-Based QSARs von Eriksson, Lennart, Jaworska, Joanna, Worth, Andrew P, Cronin, Mark T.D, McDowell, Robert M, Gramatica, Paola

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Internationalization of Read-Across as a Validated New Approach Method (NAM) for Regulatory Toxicology von Rovida, Costanza, Barton-Maclaren, Tara, Benfenati, Emilio, Caloni, Francesca, Chandrasekera, P. Charukeshi, Chesne, Christophe, Cronin, Mark T. D., De Knecht, Joop, Dietrich, Daniel R., Escher, Sylvia E., Fitzpatrick, Suzanne, Flannery, Brenna, Herzler, Matthias, Bennekou, Susanne Hougaard, Hubesch, Bruno, Kamp, Hennicke, Kisitu, Jaffar, Kleinstreuer, Nicole, Kovarich, Simona, Leist, Marcel, Maertens, Alexandra, Nugent, Kerry, Pallocca, Giorgia, Pastor, Manuel, Patlewicz, Grace, Pavan, Manuela, Presgrave, Octavio, Smirnova, Lena, Schwarz, Michael, Yamada, Takashi, Hartung, Thomas

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Interpretation of QSAR Models: Mining Structural Patterns Taking into Account Molecular Context von Matveieva, Mariia, Cronin, Mark T. D., Polishchuk, Pavel

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Assessment and Reproducibility of Quantitative Structure–Activity Relationship Models by the Nonexpert von Patel, Mukesh, Chilton, Martyn L, Sartini, Andrea, Gibson, Laura, Barber, Chris, Covey-Crump, Liz, Przybylak, Katarzyna R, Cronin, Mark T. D, Madden, Judith C

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The application of molecular modelling in the safety assessment of chemicals: A case study on ligand-dependent PPARγ dysregulation von Al Sharif, Merilin, Tsakovska, Ivanka, Pajeva, Ilza, Alov, Petko, Fioravanzo, Elena, Bassan, Arianna, Kovarich, Simona, Yang, Chihae, Mostrag-Szlichtyng, Aleksandra, Vitcheva, Vessela, Worth, Andrew P, Richarz, Andrea-N, Cronin, Mark T.D

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Workshop report on the evaluation of the updated and expanded carcinogen database to support derivation of threshold of toxicological concern values for DNA reactive carcinogens von Escher, Sylvia E, Felter, Susan P, Hollnagel, Heli, Boobis, Alan R, Yang, Chihae, Rathman, James, Cronin, Mark T.D, Batke, Monika

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Optimizing drug discovery by Investigative Toxicology: Current and future trends von Beilmann, Mario, Boonen, Harrie, Czich, Andreas, Dear, Gordon, Hewitt, Philip, Mow, Tomas, Newham, Peter, Oinonen, Teija, Pognan, Francois, Roth, Adrian, Valentin, Jean-Pierre, Van Goethem, Freddy, Weaver, Richard J, Birk, Barbara, Boyer, Scott, Caloni, Francesca, Chen, Alice E, Corvi, Raffaella, Cronin, Mark T D, Daneshian, Mardas, Ewart, Lorna C, Fitzgerald, Rex E, Hamilton, Geraldine A, Hartung, Thomas, Kangas, Joshua D, Kramer, Nynke I, Leist, Marcel, Marx, Uwe, Polak, Sebastian, Rovida, Costanza, Testai, Emanuela, Van der Water, Bob, Vulto, Paul, Steger-Hartmann, Thomas

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In silico resources to assist in the development and evaluation of physiologically-based kinetic models von Madden, Judith C., Pawar, Gopal, Cronin, Mark T.D., Webb, Steven, Tan, Yu-Mei, Paini, Alicia

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Pharmaceuticals in the environment: Good practice in predicting acute ecotoxicological effects von Madden, Judith C., Enoch, Steven J., Hewitt, Mark, Cronin, Mark T.D.

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Use of QSARs in International Decision-Making Frameworks to Predict Health Effects of Chemical Substances von Mark T. D. Cronin, Jaworska, Joanna S., Walker, John D., Michael H. I. Comber, Watts, Christopher D., Worth, Andrew P.

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Chemoinformatic Consideration of Novel Psychoactive Substances: Compilation and Preliminary Analysis of a Categorised Dataset von Firman, James W., Belfield, Samuel J., Chen, George, Jackson, Megan, Lam, Fai Hou, Richmond, Callum, Smith, James, Steinmetz, Fabian P., Cronin, Mark T. D.

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Towards a qAOP framework for predictive toxicology - Linking data to decisions von Paini, Alicia, Campia, Ivana, Cronin, Mark T.D., Asturiol, David, Ceriani, Lidia, Exner, Thomas E., Gao, Wang, Gomes, Caroline, Kruisselbrink, Johannes, Martens, Marvin, Meek, M.E. Bette, Pamies, David, Pletz, Julia, Scholz, Stefan, Schüttler, Andreas, Spînu, Nicoleta, Villeneuve, Daniel L., Wittwehr, Clemens, Worth, Andrew, Luijten, Mirjam

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