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

Volltext

Organic Pollutants Ten Years After the Stockholm Convention: Environmental and Analytical Update

Volltext

Investigating the influence of data splitting on the predictive ability of QSAR/QSPR models von Puzyn, Tomasz, Mostrag-Szlichtyng, Aleksandra, Gajewicz, Agnieszka, Skrzyński, Michał, Worth, Andrew P.

Volltext

The role of a molecular informatics platform to support next generation risk assessment von Yang, Chihae, Rathman, James F, Bienfait, Bruno, Burbank, Matthew, Detroyer, Ann, Enoch, Steven J., Firman, James W., Gutsell, Steve, Hewitt, Nicola J., Hobocienski, Bryan, Kenna, Gerry, Madden, Judith C., Magdziarz, Tomasz, Marusczyk, Jörg, Mostrag-Szlichtyng, Aleksandra, Krueger, Christopher-Tilman, Lester, Cathy, Mahoney, Catherine, Najjar, Abdulkarim, Ouedraogo, Gladys, Przybylak, Katarzyna R., Ribeiro, J. Vinicius, Cronin, Mark T.D.

Volltext

A new paradigm in threshold of toxicological concern based on chemoinformatics analysis of a highly curated database enriched with antimicrobials von Yang, Chihae, Cheeseman, Mitchell, Rathman, James, Mostrag, Aleksandra, Skoulis, Nicholas, Vitcheva, Vessela, Goldberg, Seth

Volltext

High Throughput Read-Across for Screening a Large Inventory of Related Structures by Balancing Artificial Intelligence/Machine Learning and Human Knowledge von Yang, Chihae, Rathman, James F., Mostrag, Aleksandra, Ribeiro, João Vinícius, Hobocienski, Bryan, Magdziarz, Tomasz, Kulkarni, Sunil, Barton-Maclaren, Tara

Volltext

QSPR-based estimation of the atmospheric persistence for chloronaphthalene congeners von Puzyn, Tomasz, Mostrąg, Aleksandra, Suzuki, Noriyuki, Falandysz, Jerzy

Volltext

Do Similar Structures Have Similar No Observed Adverse Effect Level (NOAEL) Values? Exploring Chemoinformatics Approaches for Estimating NOAEL Bounds and Uncertainties von Yang, Chihae, Rathman, James F, Magdziarz, Tomasz, Mostrag, Aleksandra, Kulkarni, Sunil, Barton-Maclaren, Tara S

Volltext

Development of a Battery of In Silico Prediction Tools for Drug-Induced Liver Injury from the Vantage Point of Translational Safety Assessment von Rathman, James, Yang, Chihae, Ribeiro, J. Vinicius, Mostrag, Aleksandra, Thakkar, Shraddha, Tong, Weida, Hobocienski, Bryan, Sacher, Oliver, Magdziarz, Tomasz, Bienfait, Bruno

Volltext

Modeling the overall persistence and environmental mobility of sulfur-containing polychlorinated organic compounds von Mostrąg, Aleksandra, Puzyn, Tomasz, Haranczyk, Maciej

Volltext

Predicting water solubility of congeners: Chloronaphthalenes—A case study von Puzyn, Tomasz, Mostrąg, Aleksandra, Falandysz, Jerzy, Kholod, Yana, Leszczynski, Jerzy

Volltext

Integration of evidence to evaluate the potential for neurobehavioral effects following exposure to USFDA-approved food colors von Gentry, Robinan, Greene, Tracy, Chappell, Grace, Lea, Isabel, Borghoff, Susan, Yang, Chihae, Rathman, James, Ribeiro, João Vinnie, Hobocienski, Bryan, Mostrag, Aleksandra, Rodricks, Joseph, Clewell, Harvey

Volltext

RE: Response to the Office of Environmental Health Hazard Assessment on comments related to Gentry et al. (2021) von Gentry, Robinan, Rodricks, Joseph, Clewell, Harvey, Greene, Tracy, Chappell, Grace, Lea, Isabel, Borghoff, Susan, Yang, Chihae, Rathman, James, Ribeiro, João Vinnie, Hobocienski, Bryan, Mostrag, Aleksandra

Volltext

Update of the Cancer Potency Database (CPDB) to enable derivations of Thresholds of Toxicological Concern (TTC) for cancer potency von Yang, Chihae, Rathman, James F, Ribeiro, J Vinicius, Batke, Monika, Escher, Sylvia E, Firman, James W, Hobocienski, Bryan, Kellner, Rupert, Mostrag, Aleksandra, Przybylak, Katarzyna R, Cronin, Mark T D

Volltext

In silico weight of evidence assessment of drug-induced liver injury in humans von Yang, Chihae, Rathman, James, Mostrag, Aleksandra, Thakkar, Shraddha, Tong, Weida, Vitcheva, Vessela

Volltext

New TTC dataset compilation to support thresholds of toxicological concern in the risk assessment of antimicrobials beyond Cramer Classes von Vitcheva, Vessela, Mostrag, Aleksandra, Liu, Jie, Rathman, James, Skoulis, Nicholas, Cheeseman, Mitchell, Yang, Chihae

Volltext

Toward establishing a standardized process and tool within the read-across workflow: A case study of agrochemicals for reproductive toxicity von Kovarich, Simona, Bienfait, Bruno, Ceriani, Lidia, Fioravanzo, Elena, Kleinoeder, Thomas, Marusczyk, Joerg, Mostrag, Aleksandra, Pavan, Manuela, Rathman, James, Sacher, Oliver, Schwab, Christof, Tarkhov, Aleksey, Yang, Chihae

Volltext

Evaluation of the applicability of existing (Q)SAR models for predicting the genotoxicity of pesticides and similarity analysis related with genotoxicity of pesticides for facilita... von Benigni, Romualdo, Serafimova, Rositsa, Parra Morte, Juan Manuel, Battistelli, Chiara Laura, Bossa, Cecilia, Giuliani, Alessandro, Fioravanzo, Elena, Bassan, Arianna, Gatnik, Mojca Fuart, Rathman, James, Yang, Chihae, Mostrag-Szlichtyng, Aleksandra, Sacher, Oliver, Tcheremenskaia, Olga

Volltext

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

Volltext

Towards modelling of the environmental fate of pharmaceuticals using the QSPR-MM scheme von Jagiello, Karolina, Mostrag-Szlichtyng, Aleksandra, Gajewicz, Agnieszka, Kawai, Toru, Imaizumi, Yoshitaka, Sakurai, Takeo, Yamamoto, Hiroshi, Tatarazako, Norihisa, Mizukawa, Kaoruko, Aoki, Yasunobu, Suzuki, Noriyuki, Watanabe, Haruna, Puzyn, Tomasz

Volltext