Chihae Yang

发表

Characterisation of the Chemical Space of the COSMOS Cosmetics Inventory and the COSMOS Non-Cancer TTC Dataset

Johann Gasteiger, Manuela Pavan, Mtd Cronin, 2013 .

Evaluation of the applicability of existing (Q)SAR models for predicting the genotoxicity of pesticides and similarity analysis related with genotoxicity of pesticides for facilitating of grouping and read across: An EFSA funded project.

Alessandro Giuliani, Olga Tcheremenskaia, Romualdo Benigni, 2020, Regulatory toxicology and pharmacology : RTP.

Unlocking the potential of in silico chemical safety assessment – A report on a cross-sector symposium on current opportunities and future challenges

Judith C. Madden, Mark T. D. Cronin, Chihae Yang, 2019, Computational toxicology.

Combined Use of MC4PC, MDL-QSAR, BioEpisteme, Leadscope PDM, and Derek for Windows Software to Achieve High-Performance, High-Confidence, Mode of Action–Based Predictions of Chemical Carcinogenesis in Rodents

Naomi L Kruhlak, R Daniel Benz, Chihae Yang, 2008, Toxicology mechanisms and methods.

New Publicly Available Chemical Query Language, CSRML, To Support Chemotype Representations for Application to Data Mining and Modeling

Johann Gasteiger, Andrew P. Worth, Tomasz Magdziarz, 2015, J. Chem. Inf. Model..

Toxicity Data Informatics: Supporting a New Paradigm for Toxicity Prediction

Chihae Yang, Ann M. Richard, Richard S. Judson, 2008, Toxicology mechanisms and methods.

The application of molecular modelling in the safety assessment of chemicals: A case study on ligand-dependent PPARγ dysregulation.

Andrew P Worth, Petko Alov, Elena Fioravanzo, 2017, Toxicology.

In silico workflows for toxicity prediction implemented into KNIME

Thorsten Meinl, Judith C. Madden, Michael R. Berthold, 2013 .

Computational chemistry solutions supporting chemical safety assessment: Lessons learned for using in silico approaches

Thorsten Meinl, Mark T. D. Cronin, Daniel Neagu, 2015 .

Use of computational tools in the field of food safety.

Andrew Worth, Paolo Mazzatorta, Benoît Schilter, 2011, Regulatory toxicology and pharmacology : RTP.

Flexible and transparent computational workflows for the prediction of target organ toxicity

Thorsten Meinl, Judith C. Madden, Michael R. Berthold, 2013 .

Comparison of methods for sequential screening of large compound sets.

Kevin P Cross, Chihae Yang, Glenn J Myatt, 2006, Combinatorial chemistry & high throughput screening.

Thresholds of Toxicological Concern for cosmetics-related substances: New database, thresholds, and enrichment of chemical space.

Andrew Worth, Detlef Keller, Kirk B Arvidson, 2017, Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association.

A new paradigm in threshold of toxicological concern based on chemoinformatics analysis of a highly curated database enriched with antimicrobials.

Chihae Yang, James Rathman, Vessela Vitcheva, 2020, Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association.

New public CSRML-based structure-fingerprint method for profiling and categorizing PFAS structures for modeling and read-across

Tomasz Magdziarz, Ann M. Richard, Chihae Yang, 2021 .

Landscape of current toxicity databases and database standards.

R Daniel Benz, Chihae Yang, Chihae Yang, 2006, Current opinion in drug discovery & development.

Quantitative structure-skin permeability relationships.

Andrew P Worth, Simona Kovarich, Petko Alov, 2017, Toxicology.

Building predictive models for protein tyrosine phosphatase 1B inhibitors based on discriminating structural features by reassembling medicinal chemistry building blocks.

Chihae Yang, Glenn J Myatt, James F Rathman, 2004, Journal of medicinal chemistry.

Origin of the TTC values for compounds that are genotoxic and/or carcinogenic and an approach for their re-evaluation

Mirjam Luijten, Alan Boobis, Chihae Yang, 2017, Critical reviews in toxicology.

Identification of structure-activity relationships for adverse effects of pharmaceuticals in humans: Part B. Use of (Q)SAR systems for early detection of drug-induced hepatobiliary and urinary tract toxicities.

Naomi L Kruhlak, R Daniel Benz, Gilles Klopman, 2009, Regulatory toxicology and pharmacology : RTP.

Legacy data sharing to improve drug safety assessment: the eTOX project

Anne Hersey, Søren Brunak, Anthony J. Brookes, 2017, Nature Reviews Drug Discovery.

Alessandro Giuliani, Olga Tcheremenskaia, Romualdo Benigni, 2019, EFSA Supporting Publications.

In vivo data mining and in silico metabolic profiling to predict diverse hepatotoxic phenotypes: Case study of piperonyl butoxide

Chihae Yang, Aleksandra Mostrag-Szlichtyng, Oliver Sacher, 2015 .

Finding discriminating structural features by reassembling common building blocks.

Glenn Myatt, Chihae Yang, Joseph S Verducci, 2003, Journal of medicinal chemistry.

Assessing the safety of cosmetic chemicals: Consideration of a flux decision tree to predict dermally delivered systemic dose for comparison with oral TTC (Threshold of Toxicological Concern).

Helga Rothe, Alessandro Chiodini, Mark T.D. Cronin, 2016, Regulatory toxicology and pharmacology : RTP.

Evaluation of high-throughput genotoxicity assays used in profiling the US EPA ToxCast chemicals.

Ann Richard, Chihae Yang, Richard Judson, 2009, Regulatory toxicology and pharmacology : RTP.

In silico approaches to support liver toxicity screening of chemicals: Case study on molecular modelling of ligands–nuclear receptors interactions to predict potential steatogenic effects

Simona Kovarich, Elena Fioravanzo, Ivanka Tsakovska, 2015 .

Development of new COSMOS oRepeatDose and non-cancer Threshold of Toxicological Concern (TTC) databases to support alternative testing methods for cosmetics related chemicals

Dimitar Hristozov, Detlef Keller, Andrew P. Worth, 2013 .

In silico prediction of skin metabolism and its implication in toxicity assessment

Judith C. Madden, Mark T. D. Cronin, Rebecca J. Shipley, 2017 .