(Q45966205)

English

Prediction of the tissue/blood partition coefficients of organic compounds based on the molecular structure using least-squares support vector machines.

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scholarly article

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Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/16317501

Prediction of the tissue/blood partition coefficients of organic compounds based on the molecular structure using least-squares support vector machines. (English)

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/16317501

molecular geometry

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support vector machine

1 reference

based on heuristic

inferred from title

least squares method

0 references

author name string

H X Liu

1

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/16317501

X J Yao

2

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/16317501

R S Zhang

3

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/16317501

M C Liu

4

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/16317501

Z D Hu

5

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/16317501

B T Fan

6

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/16317501

publication date

1 July 2005

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Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/16317501

Journal of Computer - Aided Molecular Design

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Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/16317501

19

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Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/16317501

7

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/16317501

499-508

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/16317501

A new approach for the tissue-blood partition coefficients of neutral and ionized compounds

1 reference

https://api.crossref.org/works/10.1007%2FS10822-005-9003-5

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QSPR analysis of flash points.

1 reference

https://pubmed.ncbi.nlm.nih.gov/16317501

12 December 2020

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Three-dimensional quantitative structure activity relationship computational approaches for prediction of human in vitro intrinsic clearance.

1 reference

https://pubmed.ncbi.nlm.nih.gov/16317501

12 December 2020

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QSAR and classification models of a novel series of COX-2 selective inhibitors: 1,5-diarylimidazoles based on support vector machines.

1 reference

https://pubmed.ncbi.nlm.nih.gov/16317501

12 December 2020

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QSAR model for drug human oral bioavailability.

1 reference

https://pubmed.ncbi.nlm.nih.gov/16317501

12 December 2020

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A new nonlinear equation for the tissue/blood partition coefficients of neutral compounds

1 reference

https://pubmed.ncbi.nlm.nih.gov/16317501

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Quantitative structure-activity relationship of flavonoid analogues. 3. Inhibition of p56lck protein tyrosine kinase

1 reference

https://pubmed.ncbi.nlm.nih.gov/16317501

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Theoretical descriptors for the correlation of aquatic toxicity of environmental pollutants by quantitative structure-toxicity relationships

1 reference

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An accurate QSPR study of O-H bond dissociation energy in substituted phenols based on support vector machines.

1 reference

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In silico prediction of ADME and pharmacokinetics. Report of an expert meeting organised by COST B15.

1 reference

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12 December 2020

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Quantitative prediction of logk of peptides in high-performance liquid chromatography based on molecular descriptors by using the heuristic method and support vector machine.

1 reference

https://pubmed.ncbi.nlm.nih.gov/16317501

12 December 2020

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Prediction of the isoelectric point of an amino acid based on GA-PLS and SVMs.

1 reference

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Comparative study of QSAR/QSPR correlations using support vector machines, radial basis function neural networks, and multiple linear regression.

1 reference

https://pubmed.ncbi.nlm.nih.gov/16317501

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

QSAR study of ethyl 2-[(3-methyl-2,5-dioxo(3-pyrrolinyl))amino]-4-(trifluoromethyl) pyrimidine-5-carboxylate: an inhibitor of AP-1 and NF-kappa B mediated gene expression based on support vector machines.

1 reference

https://pubmed.ncbi.nlm.nih.gov/16317501

12 December 2020

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Drug design by machine learning: support vector machines for pharmaceutical data analysis

1 reference

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Identifiers

10.1007/S10822-005-9003-5

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/16317501

DBLP publication ID

journals/jcamd/LiuYZLHF05

1 reference

DBLP Dataset 2021-01-02

28 January 2021

Dimensions Publication ID

0 references

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/16317501

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