(Q44704169)

English

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

scientific article published on 26 August 2008

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scholarly article

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Europe PubMed Central

PubMed publication ID

5 December 2017

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

1 reference

Europe PubMed Central

PubMed publication ID

5 December 2017

1 reference

based on heuristic

inferred from title

Tetrahymena pyriformis

object named as

Tetrahymena pyriformis

1 reference

based on heuristic

inferred from title

1

1 reference

Europe PubMed Central

PubMed publication ID

5 December 2017

7

1 reference

Europe PubMed Central

PubMed publication ID

5 December 2017

9

1 reference

Europe PubMed Central

PubMed publication ID

5 December 2017

Roberto Todeschini

object named as

Roberto Todeschini

8

0 references

object named as

Ester Papa

6

0 references

Alexander Tropsha

5

object named as

Alexander Tropsha

1 reference

Europe PubMed Central

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5 December 2017

2

object named as

Iurii Sushko

1 reference

Europe PubMed Central

PubMed publication ID

5 December 2017

author name string

Anil Kumar Pandey

3

1 reference

Europe PubMed Central

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5 December 2017

Hao Zhu

4

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5 December 2017

Alexandre Varnek

10

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5 December 2017

publication date

26 August 2008

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5 December 2017

Journal of Chemical Information and Modeling

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Europe PubMed Central

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5 December 2017

48

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Europe PubMed Central

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5 December 2017

9

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Europe PubMed Central

PubMed publication ID

5 December 2017

1733-1746

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Europe PubMed Central

PubMed publication ID

5 December 2017

The Problem of Overfitting

1 reference

https://opencitations.net/index/coci/api/v1/citations/10.1021/CI0342472

12 September 2021

Virtual Computational Chemistry Laboratory – Design and Description

1 reference

4 April 2022

https://opencitations.net/index/coci/api/v1/citations/10.1007/S10822-005-8694-Y

Current status of methods for defining the applicability domain of (quantitative) structure-activity relationships. The report and recommendations of ECVAM Workshop 52

1 reference

https://opencitations.net/index/api/v1/citations/10.1177/026119290503300209

18 January 2024

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

1 reference

7 December 2024

https://opencitations.net/index/api/v1/citations/10.1021/CI010368V

Neural network studies. 1. Comparison of overfitting and overtraining

1 reference

7 December 2024

https://opencitations.net/index/api/v1/citations/10.1021/CI00027A006

QM/NN QSPR models with error estimation: vapor pressure and logP

1 reference

7 December 2024

https://opencitations.net/index/api/v1/citations/10.1021/CI990131N

A quantum mechanical/neural net model for boiling points with error estimation

1 reference

7 December 2024

https://opencitations.net/index/api/v1/citations/10.1021/CI0004614

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

1 reference

7 December 2024

https://opencitations.net/index/api/v1/citations/10.1021/CI00020A039

Similarity to molecules in the training set is a good discriminator for prediction accuracy in QSAR

1 reference

7 December 2024

https://opencitations.net/index/api/v1/citations/10.1021/CI049782W

Prediction of aqueous solubility and partition coefficient optimized by a genetic algorithm based descriptor selection method

1 reference

7 December 2024

https://opencitations.net/index/api/v1/citations/10.1021/CI034006U

Neural network studies. 4. Introduction to associative neural networks

1 reference

7 December 2024

https://opencitations.net/index/api/v1/citations/10.1021/CI010379O

Identifiers

10.1021/CI800151M

1 reference

Europe PubMed Central

PubMed publication ID

5 December 2017

DBLP publication ID

journals/jcisd/TetkoSPZTPOTFV08

1 reference

DBLP Dataset 2021-01-02

28 January 2021

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

5 December 2017

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