QSPR models for bioconcentration factor (BCF): are they able to predict data of industrial interest?

OPERA models for predicting physicochemical properties and environmental fate endpoints

(2018) Kamel Mansouri et al.   Journal of Cheminformatics

Can the Stockholm convention address the spectrum of chemicals currently under regulatory scrutiny? Advocating a more prominent role for modeling in POP screening assessment

(2018) Michael S. McLachlan   Environmental Science-Processes & Impacts

Generative Topographic Mapping of Conformational Space

(2017) Dragos Horvath et al.   Molecular Informatics

Predicting the bioconcentration factor through a conformation-independent QSPR study

(2017) J. F. Aranda et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Expert QSAR system for predicting the bioconcentration factor under the REACH regulation

(2016) Francesca Grisoni et al.   ENVIRONMENTAL RESEARCH

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(2016)   Molecular Informatics

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(2016)   Molecular Informatics

QSAR models for bioconcentration: Is the increase in the complexity justified by more accurate predictions?

(2015) Francesca Grisoni et al.   CHEMOSPHERE

PBT assessment and prioritization by PBT Index and consensus modeling: Comparison of screening results from structural models

(2015) Paola Gramatica et al.   ENVIRONMENT INTERNATIONAL

Comparison between bioconcentration factor (BCF) data provided by industry to the European Chemicals Agency (ECHA) and data derived from QSAR models

(2015) Maria I. Petoumenou et al.   ENVIRONMENTAL RESEARCH

Evaluation and comparison of benchmark QSAR models to predict a relevant REACH endpoint: The bioconcentration factor (BCF)

(2015) Andrea Gissi et al.   ENVIRONMENTAL RESEARCH

Chemical Data Visualization and Analysis with Incremental Generative Topographic Mapping: Big Data Challenge

(2014) Héléna A. Gaspar et al.   Journal of Chemical Information and Modeling

An alternative QSAR-based approach for predicting the bioconcentration factor for regulatory purposes

(2014)   ALTEX-Alternatives to Animal Experimentation

CORAL: Quantitative models for estimating bioconcentration factor of organic compounds

(2012) Alla P. Toropova et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

Interpretability of SAR/QSAR Models of any Complexity by Atomic Contributions

(2012) G. Marcou et al.   Molecular Informatics

First Report of the Cereal Cyst Nematode Heterodera latipons on Wheat in Morocco

(2012) F. Mokrini et al.   PLANT DISEASE

LIBSVM

(2012) Chih-Chung Chang et al.   ACM Transactions on Intelligent Systems and Technology

QSAR modelling of bioconcentration factor using hydrophobicity, hydrogen bonding and topological descriptors

(2010) J.C. Dearden et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Screening for low aquatic bioaccumulation (1): Lipinski's ‘Rule of 5’ and molecular size

(2010) M. Nendza et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Domain of EPI suite biotransformation models

(2010) R.S. Boethling et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

METHODS FOR ESTIMATING THE BIOCONCENTRATION FACTOR OF IONIZABLE ORGANIC CHEMICALS

(2009) Wenjing Fu et al.   ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY

Review of Literature-Based Quantitative Structure–Activity Relationship Models for Bioconcentration

(2008) Manuela Pavan et al.   Quantitative structure-activity relationships & combinatorial science