Detalhe da pesquisa
1.
Quantum-Mechanical Approach to Predicting the Carcinogenic Potency of N-Nitroso Impurities in Pharmaceuticals.
Chem Res Toxicol
; 36(2): 291-304, 2023 02 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-36745540
2.
Computer-Aided Discovery and Redesign for Respiratory Sensitization: A Tiered Mechanistic Model to Deliver Robust Performance Across a Diverse Chemical Space.
Chem Res Toxicol
; 35(11): 2097-2106, 2022 11 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-36190799
3.
Decarbonylative Olefination of Aldehydes to Alkenes.
J Am Chem Soc
; 142(2): 696-699, 2020 01 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-31884790
4.
Going All In: A Strategic Investment in In Silico Toxicology.
Chem Res Toxicol
; 33(4): 880-888, 2020 04 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-32166946
5.
CRISPR-Generated Nrf2a Loss- and Gain-of-Function Mutants Facilitate Mechanistic Analysis of Chemical Oxidative Stress-Mediated Toxicity in Zebrafish.
Chem Res Toxicol
; 33(2): 426-435, 2020 02 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-31858786
6.
Toward Less Hazardous Industrial Compounds: Coupling Quantum Mechanical Computations, Biomarker Responses, and Behavioral Profiles To Identify Bioactivity of SN2 Electrophiles in Alternative Vertebrate Models.
Chem Res Toxicol
; 33(2): 367-380, 2020 02 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-31789507
7.
Kinetics of Glutathione Depletion and Antioxidant Gene Expression as Indicators of Chemical Modes of Action Assessed in Vitro in Mouse Hepatocytes with Enhanced Glutathione Synthesis.
Chem Res Toxicol
; 32(3): 421-436, 2019 03 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-30547568
8.
Identifying and designing chemicals with minimal acute aquatic toxicity.
Proc Natl Acad Sci U S A
; 112(20): 6289-94, 2015 May 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-24639521
9.
Toward the Design of Less Hazardous Chemicals: Exploring Comparative Oxidative Stress in Two Common Animal Models.
Chem Res Toxicol
; 30(4): 893-904, 2017 04 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-27750016
10.
CADRE-SS, an in Silico Tool for Predicting Skin Sensitization Potential Based on Modeling of Molecular Interactions.
Chem Res Toxicol
; 29(1): 58-64, 2016 Jan 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-26650775
11.
Green Chemistry: A Framework for a Sustainable Future.
J Org Chem
; 86(13): 8551-8555, 2021 07 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-34129776
12.
Green Chemistry: A Framework for a Sustainable Future.
Environ Sci Technol
; 55(13): 8459-8463, 2021 07 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-34129334
13.
A free energy approach to the prediction of olefin and epoxide mutagenicity and carcinogenicity.
Chem Res Toxicol
; 25(12): 2780-7, 2012 Dec 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-23106682
14.
Electronic Effects of Support Doping on Hydrotalcite-Supported Iridium N-Heterocyclic Carbene Complexes.
ACS Omega
; 7(28): 24705-24713, 2022 Jul 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-35874240
15.
Correction: Transfer hydrogenation of carbon dioxide and bicarbonate from glycerol under aqueous conditions.
Chem Commun (Camb)
; 56(19): 2956, 2020 Mar 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-32096808
16.
Microwave-Assisted Decarbonylation of Biomass-Derived Aldehydes using Pd-Doped Hydrotalcites.
ChemSusChem
; 13(2): 312-320, 2020 Jan 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-31595700
17.
Transfer hydrogenation of carbon dioxide and bicarbonate from glycerol under aqueous conditions.
Chem Commun (Camb)
; 54(48): 6184-6187, 2018 Jun 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-29845981
18.
Comparative behavioral toxicology with two common larval fish models: Exploring relationships among modes of action and locomotor responses.
Sci Total Environ
; 640-641: 1587-1600, 2018 Nov 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-30021323
19.
The Molecular Design Research Network.
Toxicol Sci
; 161(2): 241-248, 2018 02 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-28973416
20.
Green Chemistry: A Framework for a Sustainable Future.
ACS Omega
; 6(25): 16254-16258, 2021 Jun 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-34235294