Detalhe da pesquisa
1.
Hybrid Machine Learning and Experimental Studies of Antiviral Potential of Ionic Liquids against P100, MS2, and Phi6.
J Chem Inf Model
; 64(6): 1996-2007, 2024 Mar 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-38452014
2.
How the Structure of Per- and Polyfluoroalkyl Substances (PFAS) Influences Their Binding Potency to the Peroxisome Proliferator-Activated and Thyroid Hormone Receptors-An In Silico Screening Study.
Molecules
; 28(2)2023 Jan 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-36677537
3.
Multi-Objective Genetic Algorithm (MOGA) As a Feature Selecting Strategy in the Development of Ionic Liquids' Quantitative Toxicity-Toxicity Relationship Models.
J Chem Inf Model
; 58(12): 2467-2476, 2018 12 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-30507178
4.
Towards the Application of Structure-Property Relationship Modeling in Materials Science: Predicting the Seebeck Coefficient for Ionic Liquid/Redox Couple Systems.
Chemphyschem
; 17(11): 1591-600, 2016 06 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-26919483
5.
Geometry optimization method versus predictive ability in QSPR modeling for ionic liquids.
J Comput Aided Mol Des
; 30(2): 165-76, 2016 Feb.
Artigo
em Inglês
| MEDLINE | ID: mdl-26830600
6.
A new metric for long-range transport potential of chemicals.
Environ Sci Technol
; 48(6): 3245-52, 2014 Mar 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-24579696
7.
Application of two-way hierarchical cluster analysis for the identification of similarities between the individual lipid fractions of Lucilia sericata.
Chem Biodivers
; 11(5): 733-48, 2014 May.
Artigo
em Inglês
| MEDLINE | ID: mdl-24827683
8.
Environmental impact of PFAS: Filling data gaps using theoretical quantum chemistry and QSPR modeling.
Environ Int
; 185: 108568, 2024 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-38493737
9.
Assessment of the application of selected metal-organic frameworks as advanced sorbents in passive extraction used in the monitoring of contaminants of emerging concern in surface waters.
Sci Total Environ
; 927: 172215, 2024 Jun 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-38580117
10.
Linking nanomaterial-induced mitochondrial dysfunction to existing adverse outcome pathways for chemicals.
ALTEX
; 41(1): 76-90, 2024 01 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-37606097
11.
A template wizard for the cocreation of machine-readable data-reporting to harmonize the evaluation of (nano)materials.
Nat Protoc
; 2024 May 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-38755447
12.
Exploring BPA alternatives - Environmental levels and toxicity review.
Environ Int
; 189: 108728, 2024 Jul.
Artigo
em Inglês
| MEDLINE | ID: mdl-38850672
13.
Expanding the applicability domain of QSPRs for predicting water solubility and vapor pressure of PFAS.
Chemosphere
; 340: 139965, 2023 Nov.
Artigo
em Inglês
| MEDLINE | ID: mdl-37633602
14.
The Effects of Two Kinds of Dietary Interventions on Serum Metabolic Profiles in Haemodialysis Patients.
Biomolecules
; 13(5)2023 05 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-37238723
15.
HBM4EU Chromates Study: Urinary Metabolomics Study of Workers Exposed to Hexavalent Chromium.
Metabolites
; 12(4)2022 Apr 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-35448548
16.
A strategy towards the generation of testable adverse outcome pathways for nanomaterials.
ALTEX
; 38(4): 580-594, 2021.
Artigo
em Inglês
| MEDLINE | ID: mdl-34008034
17.
Representation of the Structure-A Key Point of Building QSAR/QSPR Models for Ionic Liquids.
Materials (Basel)
; 13(11)2020 May 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-32486309
18.
The Acid Strength of the Lewis-Brønsted Superacids - A QSPR Study.
Mol Inform
; 38(8-9): e1800113, 2019 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-30747480
19.
Chemoinformatic Approach to Assess Toxicity of Ionic Liquids.
Methods Mol Biol
; 1800: 559-571, 2018.
Artigo
em Inglês
| MEDLINE | ID: mdl-29934911
20.
Which structural features stand behind micelization of ionic liquids? Quantitative Structure-Property Relationship studies.
J Colloid Interface Sci
; 487: 475-483, 2017 Feb 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-27816013