Modeling the Biodegradability of Chemical Compounds Using the Online CHEmical Modeling Environment (OCHEM) (Q28818850)

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5175213

Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information

16 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5175213

The University of Minnesota Pathway Prediction System: multi-level prediction and visualization

16 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5175213

On Outliers and Activity Cliffs - Why QSAR Often Disappoints

16 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5175213

Methods for reliability and uncertainty assessment and for applicability evaluations of classification- and regression-based QSARs

16 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5175213

The Chemistry Development Kit (CDK): an open-source Java library for Chemo- and Bioinformatics

16 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5175213

Development of dimethyl sulfoxide solubility models using 163,000 molecules: using a domain applicability metric to select more reliable predictions

16 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5175213

Modeling of non-additive mixture properties using the Online CHEmical database and Modeling environment (OCHEM)

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5175213

ToxAlerts: a Web server of structural alerts for toxic chemicals and compounds with potential adverse reactions

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5175213

The perspectives of computational chemistry modeling

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5175213

Domain of EPI suite biotransformation models

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5175213

Biodegradation of fluorinated alkyl substances

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5175213

Combinatorial QSAR modeling of chemical toxicants tested against Tetrahymena pyriformis

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5175213

3 June 2018

Of molecules and humans

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5175213

External validation of the biodegradability prediction model CATABOL using data sets of existing and new chemicals under the Japanese Chemical Substances Control Law.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5175213

Finding and estimating chemical property data for environmental assessment

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5175213

Recent developments in broadly applicable structure-biodegradability relationships

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5175213

Estimation of aqueous solubility of chemical compounds using E-state indices

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5175213

Ultimate biodegradation of 2-, 3- and 4-nitrotoluene

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5175213

Development of a predictive model for biodegradability based on BIODEG, the evaluated biodegradation data base

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5175213

Applications of experts' judgement to derive structure-biodegradation relationships.

3 June 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300030

Critical assessment of QSAR models of environmental toxicity against Tetrahymena pyriformis: focusing on applicability domain and overfitting by variable selection

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300030

Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300030

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300030

In silico assessment of chemical biodegradability.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300030

Incorporation of in silico biodegradability screening in early drug development--a feasible approach?

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300030

Identifying Important Risk Factors for Survival in Kidney Graft Failure Patients Using Random Survival Forests

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300030

Comparison of Automatic Three-Dimensional Model Builders Using 639 X-ray Structures

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300030

Prediction of n-octanol/water partition coefficients from PHYSPROP database using artificial neural networks and E-state indices.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300030

ISIDA - Platform for Virtual Screening Based on Fragment and Pharmacophoric Descriptors

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300030

Benchmarking of linear and nonlinear approaches for quantitative structure-property relationship studies of metal complexation with ionophores.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300030

Associative Neural Network

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300030

Fragmental descriptors with labeled atoms and their application in QSAR/QSPR studies

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300030

Application of Associative Neural Networks for Prediction of Lipophilicity in ALOGPS 2.1 Program

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300030

Evaluation of CADASTER QSAR models for the aquatic toxicity of (benzo)triazoles and prioritisation by consensus prediction.

21 January 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5175213

Evaluation and application of models for the prediction of ready biodegradability in the MITI-I test

26 November 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/27485201

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Functionality pattern matching as an efficient complementary structure/reaction search tool: an open-source approach

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/27485201

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Group contribution method for predicting probability and rate of aerobic biodegradation

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/27485201

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1002/MINF.201300030

The WEKA data mining software: an update

8 April 2023

1 reference

COCI

https://opencitations.net/index/coci/api/v1/references/10.1002/MINF.201300030

Review of Estimation Models for Biodegradation

8 April 2023

1 reference

COCI

https://opencitations.net/index/coci/api/v1/references/10.1002/MINF.201300030

Handbook of Molecular Descriptors

8 April 2023

1 reference

COCI

https://opencitations.net/index/coci/api/v1/references/10.1002/MINF.201300030