about
QSAR modeling: where have you been? Where are you going to?Correlations and complementarities in data and methods through Principal Components Analysis (PCA) applied to the results of the SPIn-Eco Project.The applications of machine learning algorithms in the modeling of estrogen-like chemicals.Synthesis, photodynamic activity, and quantitative structure-activity relationship modelling of a series of BODIPYs.Structural requirements of 3-carboxyl-4(1H)-quinolones as potential antimalarials from 2D and 3D QSAR analysis.QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS.Metabolic biotransformation half-lives in fish: QSAR modeling and consensus analysis.Corrigendum: Are Mechanistic and Statistical QSAR Approaches Really Different? MLR Studies on 158 Cycloalkyl-Pyranones.Structure-Activity Relationship Analysis of the Thermal Stabilities of Nitroaromatic Compounds Following Different Decomposition Mechanisms.QSAR Modeling is not "Push a Button and Find a Correlation": A Case Study of Toxicity of (Benzo-)triazoles on Algae.On the Use of Local and Global QSPRs for the Prediction of Physico-chemical Properties of Polybrominated Diphenyl Ethers.CADASTER QSPR Models for Predictions of Melting and Boiling Points of Perfluorinated Chemicals.The importance of molecular structures, endpoints' values, and predictivity parameters in QSAR research: QSAR analysis of a series of estrogen receptor binders.PBT assessment and prioritization of contaminants of emerging concern: Pharmaceuticals.Comparison between 5,10,15,20-tetraaryl- and 5,15-diarylporphyrins as photosensitizers: synthesis, photodynamic activity, and quantitative structure-activity relationship modeling.Water quality objectives for mixtures of toxic chemicals: problems and perspectives.QSAR approach to POPs screening for atmospheric persistence.Modeling ready biodegradability of fragrance materials.PBT assessment and prioritization by PBT Index and consensus modeling: comparison of screening results from structural models.Screening the leaching tendency of pesticides applied in the Amu Darya Basin (Uzbekistan).QSAR modeling and prediction of the endocrine-disrupting potencies of brominated flame retardants.Quantitative structure-activity relationship modelling of oral acute toxicity and cytotoxic activity of fragrance materials in rodents.QSAR modelling of water quality indices of alkylphenol pollutants.Joint algal toxicity of 16 dissimilarly acting chemicals is predictable by the concept of independent action.QSAR study of malonyl-CoA decarboxylase inhibitors using GA-MLR and a new strategy of consensus modeling.Predicting the joint algal toxicity of multi-component s-triazine mixtures at low-effect concentrations of individual toxicants.QSAR classification of estrogen receptor binders and pre-screening of potential pleiotropic EDCs.Daphnia and fish toxicity of (benzo)triazoles: validated QSAR models, and interspecies quantitative activity-activity modelling.Mixture toxicity of priority pollutants at no observed effect concentrations (NOECs).On the development and validation of QSAR models.Joint algal toxicity of phenylurea herbicides is equally predictable by concentration addition and independent action.QSAR classification models for the prediction of endocrine disrupting activity of brominated flame retardants.Are Mechanistic and Statistical QSAR Approaches Really Different? MLR Studies on 158 Cycloalkyl-Pyranones.QSAR classification models for the screening of the endocrine-disrupting activity of perfluorinated compounds.Oral LD50 toxicity modeling and prediction of per- and polyfluorinated chemicals on rat and mouse.Ranking of phenols for abiotic oxidation in aqueous environment: a QSPR approach.Modelling physico-chemical properties of (benzo)triazoles, and screening for environmental partitioning.QSAR modeling of cumulative environmental end-points for the prioritization of hazardous chemicals.Prediction of aromatic amines mutagenicity from theoretical molecular descriptors.A Historical Excursus on the Statistical Validation Parameters for QSAR Models: A Clarification Concerning Metrics and Terminology.
P50
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P50
description
hulumtuese
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wetenschapper
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հետազոտող
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Paola Gramatica
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Paola Gramatica
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Paola Gramatica
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Paola Gramatica
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Paola Gramatica
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Paola Gramatica
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Paola Gramatica
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Paola Gramatica
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Paola Gramatica
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Paola Gramatica
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Paola Gramatica
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Paola Gramatica
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Paola Gramatica
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Paola Gramatica
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Paola Gramatica
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P106
P1153
7004364627
P21
P2456
P31
P496
0000-0002-6364-6138