相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。Can deep learning algorithms enhance the prediction of solute descriptors for linear solvation energy relationship approaches?
Nadin Ulrich et al.
FLUID PHASE EQUILIBRIA (2022)
Experimental study on erosion behavior of fracturing pipeline involving tensile stress and erosion prediction using random forest regression
Siqi Yang et al.
JOURNAL OF NATURAL GAS SCIENCE AND ENGINEERING (2021)
A comparative analysis of bubble point pressure prediction using advanced machine learning algorithms and classical correlations
Xi Yang et al.
JOURNAL OF PETROLEUM SCIENCE AND ENGINEERING (2020)
Predicting acute contact toxicity of organic binary mixtures in honey bees (A. mellifera) through innovative QSAR models
Edoardo Carnesecchi et al.
SCIENCE OF THE TOTAL ENVIRONMENT (2020)
Effects of nano-clay content, foaming temperature and foaming time on density and cell size of PVC matrix foam by presented Least Absolute Shrinkage and Selection Operator statistical regression via suitable experiments as a function of MMT content
Zhixiong Li et al.
PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS (2020)
A general linear free energy relationship for predicting partition coefficients of neutral organic compounds
Deliang Chen et al.
CHEMOSPHERE (2020)
Robustness to adversarial examples can be improved with overfitting
Oscar Deniz et al.
INTERNATIONAL JOURNAL OF MACHINE LEARNING AND CYBERNETICS (2020)
Versatile in silico modeling of partition coefficients of organic compounds in polydimethylsiloxane using linear and nonlinear methods
Tengyi Zhu et al.
JOURNAL OF HAZARDOUS MATERIALS (2020)
Comparison and calibration of diverse passive samplers used for the air sampling of pesticides during a regional sampling monitoring campaign
Marine Levy et al.
ATMOSPHERIC POLLUTION RESEARCH (2020)
Detecting explosives by PGNAA using KNN Regressors and decision tree classifier: A proof of concept
K. Hossny et al.
PROGRESS IN NUCLEAR ENERGY (2020)
Predicting plant cuticle-water partition coefficients for organic pollutants using pp-LFER model
Xiaojuan Qi et al.
SCIENCE OF THE TOTAL ENVIRONMENT (2020)
Modeling the ecological status response of rivers to multiple stressors using machine learning: A comparison of environmental DNA metabarcoding and morphological data
Juntao Fan et al.
WATER RESEARCH (2020)
An individualized gait pattern prediction model based on the least absolute shrinkage and selection operator regression
Xinyao Hu et al.
JOURNAL OF BIOMECHANICS (2020)
Time integrative sampling properties of Speedisk and silicone rubber passive samplers determined by chemical analysis and in vitro bioassay testing
Jasperien de Weert et al.
CHEMOSPHERE (2020)
Prediction of adsorption properties for ionic and neutral pharmaceuticals and pharmaceutical intermediates on activated charcoal from aqueous solution via LFER model
Yufeng Zhao et al.
CHEMICAL ENGINEERING JOURNAL (2019)
QSARs to predict adsorption affinity of organic micropollutants for activated carbon and β-cyclodextrin polymer adsorbents
Yuhan Ling et al.
WATER RESEARCH (2019)
QSAR modelling for predicting the toxic effects of traditional and derived biomass solvents on a Danio rerio biomodel
Estefania Zuriaga et al.
CHEMOSPHERE (2019)
Direct measurements of polyurethane foam (PUF) - air partitioning coefficients for chemicals of emerging concern capable of equilibrating in PUF disk samplers
Amandeep Saini et al.
CHEMOSPHERE (2019)
Preliminary investigation of polymer-based in situ passive samplers for mercury and methylmercury
Vivien F. Taylor et al.
CHEMOSPHERE (2019)
Predicting adsorption coefficients of VOCs using polyparameter linear free energy relationship based on the evaluation of dispersive and specific interactions
Huijuan Liu et al.
ENVIRONMENTAL POLLUTION (2019)
QSAR studies on partition coefficients of organic compounds for polydimethylsiloxane of solid-phase microextraction devices
K. -P. Chao et al.
INTERNATIONAL JOURNAL OF ENVIRONMENTAL SCIENCE AND TECHNOLOGY (2018)
Further investigation on water-hammer control inline strategy in water-supply systems
Ali Triki
JOURNAL OF WATER SUPPLY RESEARCH AND TECHNOLOGY-AQUA (2018)
Predicting hydrolysis kinetics for multiple types of halogenated disinfection byproducts via QSAR models
Lei Wang et al.
CHEMICAL ENGINEERING JOURNAL (2018)
Can poly-parameter linear-free energy relationships (pp-LFERs) improve modelling bioaccumulation in fish?
Shizhen Zhao et al.
CHEMOSPHERE (2018)
Sorption of organic compounds by aged polystyrene microplastic particles
Thorsten Hueffer et al.
ENVIRONMENTAL POLLUTION (2018)
QSPR modeling of the logKow and logKoc of polymethoxylated, polyhydroxylated diphenyl ethers and methoxylated-, hydroxylated-polychlorinated diphenyl ethers
Xuesheng Zhang et al.
JOURNAL OF HAZARDOUS MATERIALS (2018)
Recent advances in convolutional neural networks
Jiuxiang Gu et al.
PATTERN RECOGNITION (2018)
Development of validated QSPR models for O-H bond dissociation energy in substituted phenols
Qi Xu et al.
MONATSHEFTE FUR CHEMIE (2017)
Development of TLSER model and QSAR model for predicting partition coefficients of hydrophobic organic chemicals between low density polyethylene film and water
Huihui Liu et al.
SCIENCE OF THE TOTAL ENVIRONMENT (2017)
Chemical structure-based predictive model for the oxidation of trace organic contaminants by sulfate radical
Tiantian Ye et al.
WATER RESEARCH (2017)
Comparison of artificial neural network and multivariate regression models for prediction of Azotobacteria population in soil under different land uses
Mitra Ebrahimi et al.
COMPUTERS AND ELECTRONICS IN AGRICULTURE (2017)
Measurement of polyurethane foam-air partition coefficients for semivolatile organic compounds as a function of temperature: Application to passive air sampler monitoring
Ana Paula Francisco et al.
CHEMOSPHERE (2017)
Calibration of polydimethylsiloxane and XAD-Pocket passive air samplers (PAS) for measuring gas- and particle-phase SVOCs
Joseph O. Okeme et al.
ATMOSPHERIC ENVIRONMENT (2016)
Be aware of error measures. Further studies on validation of predictive QSAR models
Kunal Roy et al.
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS (2016)
Polydimethylsiloxane-air partition ratios for semi-volatile organic compounds by GC-based measurement and COSMO-RS estimation: Rapid measurements and accurate modelling
Joseph O. Okeme et al.
CHEMOSPHERE (2016)
Development of classification model and QSAR model for predicting binding affinity of endocrine disrupting chemicals to human sex hormone-binding globulin
Huihui Liu et al.
CHEMOSPHERE (2016)
Modelling PUF passive air samplers: Temperature dependence of polyurethane foam - Air partitioning of PAHs and their O-, N-, and S-derivatives computed by COSMO-RS
J. Mark Parnis et al.
ATMOSPHERIC POLLUTION RESEARCH (2016)
A variance inflation factor and backward elimination based robust regression model for forecasting monthly electricity demand using climatic variables
D. H. Vu et al.
APPLIED ENERGY (2015)
PREDICTION OF PARTITION COEFFICIENTS FOR COMPLEX ENVIRONMENTAL CONTAMINANTS: VALIDATION OF COSMOTHERM, ABSOLV, AND SPARC
Angelika Stenzel et al.
ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY (2014)
Toward the next generation of air quality monitoring: Persistent organic pollutants
Hayley Hung et al.
ATMOSPHERIC ENVIRONMENT (2013)
Modeling the Uptake of Neutral Organic Chemicals on XAD Passive Air Samplers under Variable Temperatures, External Wind Speeds and Ambient Air Concentrations (PAS-SIM)
James M. Armitage et al.
ENVIRONMENTAL SCIENCE & TECHNOLOGY (2013)
Experimental Determination of Polyparameter Linear Free Energy Relationship (pp-LFER) Substance Descriptors for Pesticides and Other Contaminants: New Measurements and Recommendations
Angelika Stenzel et al.
ENVIRONMENTAL SCIENCE & TECHNOLOGY (2013)
A Modified Polanyi-based Model for Mechanistic Understanding of Adsorption of Phenolic Compounds onto Polymeric Adsorbents
Bingjun Pan et al.
ENVIRONMENTAL SCIENCE & TECHNOLOGY (2012)
Quantitative structure-activity relationship prediction of blood-to-brain partitioning behavior using support vector machine
Hassan Golmohammadi et al.
EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES (2012)
Measurements and predictions of hexadecane/air partition coefficients for 387 environmentally relevant compounds
Angelika Stenzel et al.
JOURNAL OF CHROMATOGRAPHY A (2012)
Development of a neural-based forecasting tool to classify recreational water quality using fecal indicator organisms
Srinivas Motamarri et al.
WATER RESEARCH (2012)
Sorption of a diverse set of organic chemical vapors onto XAD-2 resin: Measurement, prediction and implications for air sampling
Stephen J. Hayward et al.
ATMOSPHERIC ENVIRONMENT (2011)
Equilibrium Partition Coefficients of Diverse Polar and Nonpolar Organic Compounds to Polyoxymethylene (POM) Passive Sampling Devices
Satoshi Endo et al.
ENVIRONMENTAL SCIENCE & TECHNOLOGY (2011)
Assessment of Methods To Define the Applicability Domain of Structural Alert Models
C. M. Ellison et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2011)
PaDEL-Descriptor: An Open Source Software to Calculate Molecular Descriptors and Fingerprints
Chun Wei Yap
JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)
Assessment of PDMS-Water Partition Coefficients: Implications for Passive Environmental Sampling of Hydrophobic Organic Compounds
Erica L. Difilippo et al.
ENVIRONMENTAL SCIENCE & TECHNOLOGY (2010)
QSAR prediction of D2 receptor antagonistic activity of 6-methoxy benzamides
Mohammad H. Fatemi et al.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2010)
Development of Abraham model correlations for solvation characteristics of secondary and branched alcohols
Laura M. Sprunger et al.
FLUID PHASE EQUILIBRIA (2010)
Application of a genetic algorithm and an artificial neural network for global prediction of the toxicity of phenols to Tetrahymena pyriformis
Aziz Habibi-Yangjeh et al.
MONATSHEFTE FUR CHEMIE (2009)
Performance improvement of artificial neural networks designed for safety key parameters prediction in nuclear research reactors
Hakim Mazrou
NUCLEAR ENGINEERING AND DESIGN (2009)
Characterization of the sorption of gaseous and organic solutes onto polydimethyl siloxane solid-phase microextraction surfaces using the Abraham model
Laura Sprunger et al.
JOURNAL OF CHROMATOGRAPHY A (2007)
Systematic investigation of the sorption properties of polyurethane foams for organic vapors
Ireen Kamprad et al.
ANALYTICAL CHEMISTRY (2007)
A system coefficient approach for quantitative assessment of the solvent effects on membrane absorption from chemical mixtures
X. R. Xia et al.
SAR AND QSAR IN ENVIRONMENTAL RESEARCH (2007)
QSAR prediction of estrogen activity for a large set of diverse chemicals under the guidance of OECD principles
Huanxiang Liu et al.
CHEMICAL RESEARCH IN TOXICOLOGY (2006)
Prediction of the temperature dependency of Henry's law constant using poly-parameter linear free energy relationships
Kai-Uwe Goss
CHEMOSPHERE (2006)
The partition behavior of fluorotelomer alcohols and olefins
Kai-Uwe Goss et al.
ENVIRONMENTAL SCIENCE & TECHNOLOGY (2006)
Current status of methods for defining the applicability domain of (quantitative) structure-activity relationships - The report and recommendations of ECVAM Workshop 52
TI Netzeva et al.
ATLA-ALTERNATIVES TO LABORATORY ANIMALS (2005)
Measurement of free concentrations using negligible depletion-solid phase microextraction (nd-SPME)
MB Heringa et al.
TRAC-TRENDS IN ANALYTICAL CHEMISTRY (2003)