Kamel Mansouri [orcid:0000-0002-6426-8036]
Kamel Mansouri [orcid:0000-0002-6426-8036]
Lead Computational Chemist at ILS supporting NICETAM
Geverifieerd e-mailadres voor nih.gov - Homepage
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Comparison of different approaches to define the applicability domain of QSAR models
F Sahigara, K Mansouri, D Ballabio, A Mauri, V Consonni, R Todeschini
Molecules 17 (5), 4791-4810, 2012
2652012
ToxCast chemical landscape: paving the road to 21st century toxicology
AM Richard, RS Judson, KA Houck, CM Grulke, P Volarath, ...
Chemical research in toxicology 29 (8), 1225-1251, 2016
2542016
The CompTox Chemistry Dashboard: a community data resource for environmental chemistry
AJ Williams, CM Grulke, J Edwards, AD McEachran, K Mansouri, ...
Journal of cheminformatics 9 (1), 61, 2017
1632017
Integrated Model of Chemical Perturbations of a Biological Pathway Using 18 In Vitro High-Throughput Screening Assays for the Estrogen Receptor
RS Judson, FM Magpantay, V Chickarmane, C Haskell, N Tania, J Taylor, ...
Toxicological Sciences 148 (1), 137-154, 2015
1632015
CERAPP: collaborative estrogen receptor activity prediction project
K Mansouri, A Abdelaziz, A Rybacka, A Roncaglioni, A Tropsha, A Varnek, ...
Environmental health perspectives 124 (7), 1023-1033, 2016
1562016
Quantitative structure–activity relationship models for ready biodegradability of chemicals
K Mansouri, T Ringsted, D Ballabio, R Todeschini, V Consonni
Journal of chemical information and modeling 53 (4), 867-878, 2013
1442013
Predicting Hepatotoxicity Using ToxCast in Vitro Bioactivity and Chemical Structure
J Liu, K Mansouri, RS Judson, MT Martin, H Hong, M Chen, X Xu, ...
Chemical research in toxicology 28 (4), 738-751, 2015
932015
OPERA models for predicting physicochemical properties and environmental fate endpoints
K Mansouri, CM Grulke, RS Judson, AJ Williams
Journal of cheminformatics 10 (1), 10, 2018
592018
An automated curation procedure for addressing chemical errors and inconsistencies in public datasets used in QSAR modelling
K Mansouri, CM Grulke, AM Richard, RS Judson, AJ Williams
SAR and QSAR in Environmental Research 27 (11), 911-937, 2016
532016
In silico prediction of physicochemical properties of environmental chemicals using molecular fingerprints and machine learning
Q Zang, K Mansouri, AJ Williams, RS Judson, DG Allen, WM Casey, ...
Journal of chemical information and modeling 57 (1), 36-49, 2017
452017
Suspect screening and non-targeted analysis of drinking water using point-of-use filters
SR Newton, RL McMahen, JR Sobus, K Mansouri, AJ Williams, ...
Environmental pollution 234, 297-306, 2018
402018
Assessing bioaccumulation of polybrominated diphenyl ethers for aquatic species by QSAR modeling
K Mansouri, V Consonni, MK Durjava, B Kolar, T Íberg, R Todeschini
Chemosphere 89 (4), 433-444, 2012
382012
“MS-Ready” structures for non-targeted high-resolution mass spectrometry screening studies
AD McEachran, K Mansouri, C Grulke, EL Schymanski, C Ruttkies, ...
Journal of cheminformatics 10 (1), 45, 2018
322018
EPA’s non-targeted analysis collaborative trial (ENTACT): genesis, design, and initial findings
EM Ulrich, JR Sobus, CM Grulke, AM Richard, SR Newton, MJ Strynar, ...
Analytical and bioanalytical chemistry 411 (4), 853-866, 2019
282019
Predictive models for acute oral systemic toxicity: a workshop to bridge the gap from research to regulation
NC Kleinstreuer, AL Karmaus, K Mansouri, DG Allen, JM Fitzpatrick, ...
Computational Toxicology 8, 21-24, 2018
232018
Prediction of estrogenic bioactivity of environmental chemical metabolites
CL Pinto, K Mansouri, R Judson, P Browne
Chemical research in toxicology 29 (9), 1410-1427, 2016
212016
High-throughput in-silico prediction of ionization equilibria for pharmacokinetic modeling
CL Strope, K Mansouri, HJ Clewell III, JR Rabinowitz, C Stevens, ...
Science of The Total Environment 615, 150-160, 2018
192018
Docking-based classification models for exploratory toxicology studies on high-quality estrogenic experimental data
D Trisciuzzi, D Alberga, K Mansouri, R Judson, S Cellamare, M Catto, ...
Future medicinal chemistry 7 (14), 1921-1936, 2015
172015
A comparison of three liquid chromatography (LC) retention time prediction models
AD McEachran, K Mansouri, SR Newton, BEJ Beverly, JR Sobus, ...
Talanta 182, 371-379, 2018
162018
Evaluating opportunities for advancing the use of alternative methods in risk assessment through the development of fit-for-purpose in vitro assays
PD McMullen, ME Andersen, B Cholewa, HJ Clewell III, KM Dunnick, ...
Toxicology in Vitro 48, 310-317, 2018
142018
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