Research graph
References from Soil Sorption Estimator (SSE): Read-Across-Based Predictions of Soil Organic Carbon Partition Coefficient (Log <i>K</i> oc) and Validation Using Multiple External Sets. Local targets link to admitted publications; unresolved targets remain external evidence.
Test No. 121: Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC) OECD Guidelines for the Testing of Chemicals, Section 1
10.1787/9789264069909-en · 2001 · External reference
Soil organic matter as a factor influencing the fate of organic chemicals in the soil environment
10.1016/b978-044481516-3/50017-7 · 1996 · External reference
Effect of sorption on biodegradation of soil pollutants
1996 · External reference
Prediction of adsorption capacity and biodegradability of polybrominated diphenyl ethers in soil
10.1007/s11356-022-22996-9 · 2023 · External reference
Extensive sorption of organic compounds to black carbon, coal, and kerogen in sediments and soils: mechanisms and consequences for distribution, bioaccumulation, and biodegradation
10.1021/es050191b · 2005 · External reference
Bioavailability of persistent organic pollutants in soils and sediments─a perspective on mechanisms, consequences and assessment
10.1016/s0269-7491(99)00206-7 · 2000 · External reference
10.1007/978-3-319-17281-1
10.1007/978-3-319-17281-1 · 2015 · External reference
Applications of Quantitative Read-Across Structure–Property Relationship (q-RASPR) Modeling in the Field of Materials Science
10.1007/978-3-031-78736-2_8 · 2025 · External reference
On the prediction of soil sorption coefficients of organic pollutants from molecular structure: Application of molecular topology model
10.1021/es00158a004 · 1987 · External reference
QSAR modelling of soil sorption. Improvements and systematics of log KOC vs. log KOW correlations
10.1016/0045-6535(95)00327-5 · 1995 · External reference
Reliable QSAR for estimating Koc for persistent organic pollutants: correlation with molecular connectivity indices
10.1016/s0045-6535(00)00339-8 · 2001 · External reference
Linear and non-linear relationships between soil sorption and hydrophobicity: Model, validation and influencing factors
10.1016/j.chemosphere.2011.11.001 · 2012 · External reference
Integrated QSPR models to predict the soil sorption coefficient for a large diverse set of compounds by using different modeling methods
10.1016/j.atmosenv.2013.12.018 · 2014 · External reference
In silico model for predicting soil organic carbon normalized sorption coefficient (KOC) of organic chemicals
10.1016/j.chemosphere.2014.07.007 · 2015 · External reference
Revealing chemophoric sites in organophosphorus insecticides through the MIA-QSPR modeling of soil sorption data
10.1016/j.ecoenv.2017.06.072 · 2017 · External reference
Statistical equivalence of prediction models of the soil sorption coefficient obtained using different log P algorithms
10.1016/j.chemosphere.2017.06.027 · 2017 · External reference
Quantitative structure–property relationships for the calculation of the soil adsorption coefficient using machine learning algorithms with calculated chemical properties from open-source software
10.1016/j.envres.2020.110363 · 2021 · External reference
Prediction of soil adsorption coefficient in pesticides using physicochemical properties and molecular descriptors by machine learning models
10.1002/etc.4724 · 2020 · External reference
Development of quantitative structure property relationship models and tool for predicting the soil adsorption coefficient (logKOC)
10.1016/j.envpol.2025.125703 · 2025 · External reference
Estimating Koc for persistent organic pollutants: limitations of correlations with Kow
10.1016/s0045-6535(99)00550-0 · 2000 · External reference
Statistical external validation and consensus modeling: a QSPR case study for Koc prediction
10.1016/j.jmgm.2006.06.005 · 2007 · External reference
Unresolved reference
External reference
VEGA-QSAR: AI inside a platform for predictive toxicology
2013 · External reference
OPERA models for predicting physicochemical properties and environmental fate endpoints
10.1186/s13321-018-0263-1 · 2018 · External reference
KOC-WebPredictor: An Open-Access Tool for Prediction and Insights into Soil Sorption
10.1021/acsomega.5c11696 · 2026 · External reference
First report of q-RASAR modeling toward an approach of easy interpretability and efficient transferability
10.1007/s11030-022-10478-6 · 2022 · External reference
10.1007/978-3-031-52057-0
10.1007/978-3-031-52057-0 · 2024 · External reference
Purposeful selection of variables in logistic regression
10.1186/1751-0473-3-17 · 2008 · External reference
Application of genetic function approximation to quantitative structure-activity relationships and quantitative structure-property relationships
10.1021/ci00020a020 · 1994 · External reference
A comparison of random forest and its Gini importance with standard chemometric methods for the feature selection and classification of spectral data
10.1186/1471-2105-10-213 · 2009 · External reference
Unresolved reference
2015 · External reference
Random forests
10.1023/a:1010933404324 · 2001 · External reference
What is a support vector machine?
10.1038/nbt1206-1565 · 2006 · External reference
Adapting boosting for information retrieval measures
10.1007/s10791-009-9112-1 · 2010 · External reference
Stochastic gradient boosting
10.1016/s0167-9473(01)00065-2 · 2002 · External reference
10.1145/2939672.2939785
10.1145/2939672.2939785 · External reference
Ridge regression: applications to nonorthogonal problems
10.1080/00401706.1970.10488635 · 1970 · External reference
PLS-regression: a basic tool of chemometrics
10.1016/s0169-7439(01)00155-1 · 2001 · External reference
A novel quantitative read-across tool designed purposefully to fill the existing gaps in nanosafety data
10.1039/d1en00725d · 2022 · External reference
On some aspects of validation of predictive quantitative structure–activity relationship models
10.1517/17460441.2.12.1567 · 2007 · External reference
Be aware of error measures. Further studies on validation of predictive QSAR models
10.1016/j.chemolab.2016.01.008 · 2016 · External reference
Real external predictivity of QSAR models: how to evaluate it? Comparison of different validation criteria and proposal of using the concordance correlation coefficient
10.1021/ci200211n · 2011 · External reference
Multivariate analysis about the influence of solubility and partition molecular descriptors on LogKoc for substituted diphenyl ethers
10.1007/s11696-026-04795-5 · 2026 · External reference
On a simple approach for determining applicability domain of QSAR models
10.1016/j.chemolab.2015.04.013 · 2015 · External reference
Prediction of physicochemical parameters by atomic contributions
10.1021/ci990307l · 1999 · External reference
Prediction of soil adsorption coefficient in pesticides using physicochemical properties and molecular descriptors by machine learning models
10.1002/etc.4724 · ExternalCitation · doi-reference
10.1007/978-3-031-52057-0
10.1007/978-3-031-52057-0 · ExternalCitation · doi-reference
Applications of Quantitative Read-Across Structure–Property Relationship (q-RASPR) Modeling in the Field of Materials Science
10.1007/978-3-031-78736-2_8 · ExternalCitation · doi-reference
10.1007/978-3-319-17281-1
10.1007/978-3-319-17281-1 · ExternalCitation · doi-reference
Adapting boosting for information retrieval measures
10.1007/s10791-009-9112-1 · ExternalCitation · doi-reference
First report of q-RASAR modeling toward an approach of easy interpretability and efficient transferability
10.1007/s11030-022-10478-6 · ExternalCitation · doi-reference
Prediction of adsorption capacity and biodegradability of polybrominated diphenyl ethers in soil
10.1007/s11356-022-22996-9 · ExternalCitation · doi-reference
Multivariate analysis about the influence of solubility and partition molecular descriptors on LogKoc for substituted diphenyl ethers
10.1007/s11696-026-04795-5 · ExternalCitation · doi-reference
QSAR modelling of soil sorption. Improvements and systematics of log KOC vs. log KOW correlations
10.1016/0045-6535(95)00327-5 · ExternalCitation · doi-reference
Soil organic matter as a factor influencing the fate of organic chemicals in the soil environment
10.1016/b978-044481516-3/50017-7 · ExternalCitation · doi-reference
Integrated QSPR models to predict the soil sorption coefficient for a large diverse set of compounds by using different modeling methods
10.1016/j.atmosenv.2013.12.018 · ExternalCitation · doi-reference
On a simple approach for determining applicability domain of QSAR models
10.1016/j.chemolab.2015.04.013 · ExternalCitation · doi-reference
Be aware of error measures. Further studies on validation of predictive QSAR models
10.1016/j.chemolab.2016.01.008 · ExternalCitation · doi-reference
Linear and non-linear relationships between soil sorption and hydrophobicity: Model, validation and influencing factors
10.1016/j.chemosphere.2011.11.001 · ExternalCitation · doi-reference
In silico model for predicting soil organic carbon normalized sorption coefficient (KOC) of organic chemicals
10.1016/j.chemosphere.2014.07.007 · ExternalCitation · doi-reference
Statistical equivalence of prediction models of the soil sorption coefficient obtained using different log P algorithms
10.1016/j.chemosphere.2017.06.027 · ExternalCitation · doi-reference
Revealing chemophoric sites in organophosphorus insecticides through the MIA-QSPR modeling of soil sorption data
10.1016/j.ecoenv.2017.06.072 · ExternalCitation · doi-reference
Development of quantitative structure property relationship models and tool for predicting the soil adsorption coefficient (logKOC)
10.1016/j.envpol.2025.125703 · ExternalCitation · doi-reference
Quantitative structure–property relationships for the calculation of the soil adsorption coefficient using machine learning algorithms with calculated chemical properties from open-source software
10.1016/j.envres.2020.110363 · ExternalCitation · doi-reference
Statistical external validation and consensus modeling: a QSPR case study for Koc prediction
10.1016/j.jmgm.2006.06.005 · ExternalCitation · doi-reference
Reliable QSAR for estimating Koc for persistent organic pollutants: correlation with molecular connectivity indices
10.1016/s0045-6535(00)00339-8 · ExternalCitation · doi-reference
Estimating Koc for persistent organic pollutants: limitations of correlations with Kow
10.1016/s0045-6535(99)00550-0 · ExternalCitation · doi-reference
Stochastic gradient boosting
10.1016/s0167-9473(01)00065-2 · ExternalCitation · doi-reference
PLS-regression: a basic tool of chemometrics
10.1016/s0169-7439(01)00155-1 · ExternalCitation · doi-reference
Bioavailability of persistent organic pollutants in soils and sediments─a perspective on mechanisms, consequences and assessment
10.1016/s0269-7491(99)00206-7 · ExternalCitation · doi-reference
KOC-WebPredictor: An Open-Access Tool for Prediction and Insights into Soil Sorption
10.1021/acsomega.5c11696 · ExternalCitation · doi-reference
Application of genetic function approximation to quantitative structure-activity relationships and quantitative structure-property relationships
10.1021/ci00020a020 · ExternalCitation · doi-reference
Real external predictivity of QSAR models: how to evaluate it? Comparison of different validation criteria and proposal of using the concordance correlation coefficient
10.1021/ci200211n · ExternalCitation · doi-reference
Prediction of physicochemical parameters by atomic contributions
10.1021/ci990307l · ExternalCitation · doi-reference
On the prediction of soil sorption coefficients of organic pollutants from molecular structure: Application of molecular topology model
10.1021/es00158a004 · ExternalCitation · doi-reference
Extensive sorption of organic compounds to black carbon, coal, and kerogen in sediments and soils: mechanisms and consequences for distribution, bioaccumulation, and biodegradation
10.1021/es050191b · ExternalCitation · doi-reference
Random forests
10.1023/a:1010933404324 · ExternalCitation · doi-reference
What is a support vector machine?
10.1038/nbt1206-1565 · ExternalCitation · doi-reference
A novel quantitative read-across tool designed purposefully to fill the existing gaps in nanosafety data
10.1039/d1en00725d · ExternalCitation · doi-reference
Ridge regression: applications to nonorthogonal problems
10.1080/00401706.1970.10488635 · ExternalCitation · doi-reference
10.1145/2939672.2939785
10.1145/2939672.2939785 · ExternalCitation · doi-reference
A comparison of random forest and its Gini importance with standard chemometric methods for the feature selection and classification of spectral data
10.1186/1471-2105-10-213 · ExternalCitation · doi-reference
Purposeful selection of variables in logistic regression
10.1186/1751-0473-3-17 · ExternalCitation · doi-reference
OPERA models for predicting physicochemical properties and environmental fate endpoints
10.1186/s13321-018-0263-1 · ExternalCitation · doi-reference
On some aspects of validation of predictive quantitative structure–activity relationship models
10.1517/17460441.2.12.1567 · ExternalCitation · doi-reference
Test No. 121: Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC) OECD Guidelines for the Testing of Chemicals, Section 1
10.1787/9789264069909-en · ExternalCitation · doi-reference
