Detalhe da pesquisa
1.
A New CSRML Structure-Based Fingerprint Method for Profiling and Categorizing Per- and Polyfluoroalkyl Substances (PFAS).
Chem Res Toxicol
; 36(3): 508-534, 2023 03 20.
Artigo
Inglês
| MEDLINE | ID: mdl-36862450
2.
High Throughput Read-Across for Screening a Large Inventory of Related Structures by Balancing Artificial Intelligence/Machine Learning and Human Knowledge.
Chem Res Toxicol
; 36(7): 1081-1106, 2023 07 17.
Artigo
Inglês
| MEDLINE | ID: mdl-37399585
3.
Do Similar Structures Have Similar No Observed Adverse Effect Level (NOAEL) Values? Exploring Chemoinformatics Approaches for Estimating NOAEL Bounds and Uncertainties.
Chem Res Toxicol
; 34(2): 616-633, 2021 02 15.
Artigo
Inglês
| MEDLINE | ID: mdl-33296179
4.
A Robust, Mechanistically Based In Silico Structural Profiler for Hepatic Cholestasis.
Chem Res Toxicol
; 34(2): 641-655, 2021 02 15.
Artigo
Inglês
| MEDLINE | ID: mdl-33314907
5.
Development of a Battery of In Silico Prediction Tools for Drug-Induced Liver Injury from the Vantage Point of Translational Safety Assessment.
Chem Res Toxicol
; 34(2): 601-615, 2021 02 15.
Artigo
Inglês
| MEDLINE | ID: mdl-33356149
6.
The Tox21 10K Compound Library: Collaborative Chemistry Advancing Toxicology.
Chem Res Toxicol
; 34(2): 189-216, 2021 02 15.
Artigo
Inglês
| MEDLINE | ID: mdl-33140634
7.
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.
Regul Toxicol Pharmacol
; 114: 104658, 2020 Jul.
Artigo
Inglês
| MEDLINE | ID: mdl-32334037
8.
Improvement of quantitative structure-activity relationship (QSAR) tools for predicting Ames mutagenicity: outcomes of the Ames/QSAR International Challenge Project.
Mutagenesis
; 34(1): 3-16, 2019 03 06.
Artigo
Inglês
| MEDLINE | ID: mdl-30357358
9.
Origin of the TTC values for compounds that are genotoxic and/or carcinogenic and an approach for their re-evaluation.
Crit Rev Toxicol
; 47(8): 705-727, 2017 Sep.
Artigo
Inglês
| MEDLINE | ID: mdl-28510487
10.
ToxCast Chemical Landscape: Paving the Road to 21st Century Toxicology.
Chem Res Toxicol
; 29(8): 1225-51, 2016 08 15.
Artigo
Inglês
| MEDLINE | ID: mdl-27367298
11.
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).
Regul Toxicol Pharmacol
; 76: 174-86, 2016 Apr.
Artigo
Inglês
| MEDLINE | ID: mdl-26825378
12.
New publicly available chemical query language, CSRML, to support chemotype representations for application to data mining and modeling.
J Chem Inf Model
; 55(3): 510-28, 2015 Mar 23.
Artigo
Inglês
| MEDLINE | ID: mdl-25647539
13.
Update of the Cancer Potency Database (CPDB) to enable derivations of Thresholds of Toxicological Concern (TTC) for cancer potency.
Food Chem Toxicol
; 182: 114182, 2023 Dec.
Artigo
Inglês
| MEDLINE | ID: mdl-37951343
14.
Use of computational tools in the field of food safety.
Regul Toxicol Pharmacol
; 60(3): 354-62, 2011 Aug.
Artigo
Inglês
| MEDLINE | ID: mdl-21600952
15.
Development of a New Threshold of Toxicological Concern Database of Non-cancer Toxicity Endpoints for Industrial Chemicals.
Front Toxicol
; 3: 626543, 2021.
Artigo
Inglês
| MEDLINE | ID: mdl-35295111
16.
Threshold of Toxicological Concern-An Update for Non-Genotoxic Carcinogens.
Front Toxicol
; 3: 688321, 2021.
Artigo
Inglês
| MEDLINE | ID: mdl-35295144
17.
Integration of evidence to evaluate the potential for neurobehavioral effects following exposure to USFDA-approved food colors.
Food Chem Toxicol
; 151: 112097, 2021 May.
Artigo
Inglês
| MEDLINE | ID: mdl-33677041
18.
Safer chemicals using less animals: kick-off of the European ONTOX project.
Toxicology
; 458: 152846, 2021 06 30.
Artigo
Inglês
| MEDLINE | ID: mdl-34216698
19.
A new paradigm in threshold of toxicological concern based on chemoinformatics analysis of a highly curated database enriched with antimicrobials.
Food Chem Toxicol
; 143: 111561, 2020 Sep.
Artigo
Inglês
| MEDLINE | ID: mdl-32640338
20.
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.
Regul Toxicol Pharmacol
; 54(1): 23-42, 2009 Jun.
Artigo
Inglês
| MEDLINE | ID: mdl-19422098