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JOURNAL OF CHEMICAL INFORMATION AND MODELING, ISSN 1549-9596, 10/2016, Volume 56, Issue 10, pp. 1905 - 1913
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 09/2013, Volume 34, Issue 24, pp. 2121 - 2132
QSARINS (QSAR‐INSUBRIA) is a new software for the development and validation of multiple linear regression Quantitative Structure‐Activity Relationship (QSAR)... 
modeling software | QSAR | OLS regression | validation | plots | CRITERIA | DOMAIN | QSPR MODELS | EVALUATE | REAL EXTERNAL PREDICTIVITY | CHEMISTRY, MULTIDISCIPLINARY | CONCORDANCE CORRELATION-COEFFICIENT | Internet software | Algorithms
Journal Article
Journal of Chemical Information and Modeling, ISSN 1549-9596, 06/2016, Volume 56, Issue 6, pp. 1127 - 1131
Journal Article
Chemistry of Materials, ISSN 0897-4756, 04/2015, Volume 27, Issue 7, pp. 2400 - 2407
Physico-chemical characterization of nanoparticles in the context of their transport and fate in the environment is an important challenge for risk assessment... 
ENGINEERED NANOMATERIALS | CANCER-CELLS | REAL EXTERNAL PREDICTIVITY | QSAR MODELS | MATERIALS SCIENCE, MULTIDISCIPLINARY | CHEMISTRY, PHYSICAL | DIFFERENT VALIDATION CRITERIA | DESCRIPTORS | CYTOTOXICITY | CONCORDANCE CORRELATION-COEFFICIENT | AGGREGATION KINETICS | SURFACE CONDUCTIVITY
Journal Article
Chemometrics and Intelligent Laboratory Systems, ISSN 0169-7439, 12/2016, Volume 159, pp. 108 - 126
Journal Article
European Journal of Medicinal Chemistry, ISSN 0223-5234, 12/2019, Volume 184, p. 111772
The membrane transporter BCRP/ABCG2 has emerged as a privileged biological target for the development of small compounds capable of abolishing multidrug... 
Chromone | QSAR | Predictive model | Docking | Inhibitor | Membrane transporter | ABCG2 | CHEMISTRY, MEDICINAL | TRANSPORTER | CORRELATION-COEFFICIENT | EVALUATE | REAL EXTERNAL PREDICTIVITY | MODELS | DIFFERENT VALIDATION CRITERIA | Life Sciences | Chemical Sciences
Journal Article
JOURNAL OF HAZARDOUS MATERIALS, ISSN 0304-3894, 04/2016, Volume 306, pp. 237 - 246
Some brominated flame retardants (BFRs), as PBDEs, are persistent, bioaccumulative, toxic (PBT) and are restricted/prohibited under various legislations. They... 
FOOD-WEB | GREAT-LAKES ATMOSPHERE | QSAR MODELS | PERSISTENCE | Flame retardants | Prioritization | TOXICITY | FATE | POLYBROMINATED DIPHENYL ETHERS | QSARINS | ENVIRONMENTAL SCIENCES | REAL EXTERNAL PREDICTIVITY | ENGINEERING, ENVIRONMENTAL | CHEMICALS | PBT Index | DIFFERENT VALIDATION CRITERIA | Hazard screening
Journal Article
Molecular Informatics, ISSN 1868-1743, 12/2012, Volume 31, Issue 11‐12, pp. 817 - 835
Journal Article
Colloids and Surfaces A: Physicochemical and Engineering Aspects, ISSN 0927-7757, 02/2020, Volume 586, p. 124226
[Display omitted] A quantitative structure-property relationship (QSPR) study on the critical micelle concentration (CMC) of 120 Gemini surfactants was... 
QSPR | Gemini surfactants | Critical micelle concentration | HQSAR | SPACER | CHEMISTRY, PHYSICAL | PCDD/FS | ANIONIC SURFACTANTS | MICELLIZATION | QSPR MODELS | REAL EXTERNAL PREDICTIVITY | STRUCTURE-PROPERTY RELATIONSHIP | ATOM ETA INDEXES | DIFFERENT VALIDATION CRITERIA | QUANTITATIVE STRUCTURE
Journal Article
Environmental Science: Processes and Impacts, ISSN 2050-7887, 01/2018, Volume 20, Issue 1, pp. 38 - 47
The hazard of chemicals in the environment is inherently related to the molecular structure and derives simultaneously from various chemical... 
CHEMISTRY, ANALYTICAL | ENVIRONMENTAL SCIENCES | REAL EXTERNAL PREDICTIVITY | PBT ASSESSMENT | PHARMACEUTICALS | AQUATIC ENVIRONMENT | PERSISTENT ORGANIC POLLUTANTS | DIFFERENT VALIDATION CRITERIA | FLAME RETARDANTS | TOXICITY | RISK-ASSESSMENT | APPLICABILITY DOMAIN
Journal Article
Journal of Molecular Structure, ISSN 0022-2860, 02/2017, Volume 1130, pp. 711 - 718
In the present work, sixty substituted 2-Phenylimidazopyridines previously reported with potent anti-human African trypanosomiasis (HAT) activity were selected... 
QSAR | Anti-HAT activity | Substituted 2-Phenylimidazopyridines | REAL EXTERNAL PREDICTIVITY | ANALOGS | CHEMISTRY, PHYSICAL | ANTIMALARIAL ACTIVITY | DIFFERENT VALIDATION CRITERIA | TAUTOMERISM | Islamic schools | Models | Algorithms | Trypanosomiasis | Analysis
Journal Article
Food and Chemical Toxicology, ISSN 0278-6915, 02/2018, Volume 112, pp. 535 - 543
Toxicokinetics heavily influence chemical toxicity as the result of Absorption, Distribution, Metabolism (Biotransformation) and Elimination (ADME) processes.... 
Biotransformation half-life | In vivo biotransformation | Refined PBT assessment | Hazard assessment | QSAR | In vivo biotransformation | ORGANIC-CHEMICALS | FOOD SCIENCE & TECHNOLOGY | HAZARD | FATE | SIMULATION | CHEMICAL METABOLISM | IN-VITRO | REAL EXTERNAL PREDICTIVITY | FISH | DIFFERENT VALIDATION CRITERIA | TOXICOLOGY | HALF-LIVES
Journal Article
Green Chemistry, ISSN 1463-9262, 08/2016, Volume 18, Issue 16, pp. 4393 - 4406
Personal Care Product (PCP) ingredients, widely used all over the world, over the last few years have become chemicals of increasing environmental concern,... 
Heterogeneity | Ranking | Toxicity | Algae | Software | Mathematical models | Hazardous | Computer programs
Journal Article
Chemical Research in Toxicology, ISSN 0893-228X, 08/2018, Volume 31, Issue 8, pp. 799 - 813
Estrogen receptor α (ERα) plays a significant role in occurrence of breast cancer and may cause various adverse side-effects when ERα is an off-target protein.... 
CHEMISTRY, MEDICINAL | CHROMOSOMAL LOCALIZATION | QSAR MODELS | DIHYDROBENZOXATHIIN SERAMS | CHEMISTRY, MULTIDISCIPLINARY | ER-ALPHA | BREAST-CANCER | REAL EXTERNAL PREDICTIVITY | QUANTITATIVE STRUCTURE-ACTIVITY | TISSUE DISTRIBUTION | BETA-MESSENGER-RNA | DIFFERENT VALIDATION CRITERIA | TOXICOLOGY
Journal Article
Green Chemistry, ISSN 1463-9262, 2016, Volume 18, Issue 16, pp. 4393 - 4406
Personal Care Product (PCP) ingredients, widely used all over the world, over the last few years have become chemicals of increasing environmental concern,... 
BENZOTRIAZOLES | SUBSTITUTION | GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY | STABILIZERS | REAL EXTERNAL PREDICTIVITY | PHARMACEUTICALS | ENVIRONMENT | CHRONIC TOXICITY | RISK | ORGANIC UV-FILTERS | DIFFERENT VALIDATION CRITERIA | CHEMISTRY, MULTIDISCIPLINARY
Journal Article