Simultaneous feature selection and parameter optimisation using an artificial ant colony: case study of melting point prediction. (Q42098328)

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25 December 2019

title

Simultaneous feature selection and parameter optimisation using an artificial ant colony: case study of melting point prediction (English)

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25 December 2019

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1

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25 December 2019

David S Palmer

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25 December 2019

Florian Nigsch

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John Blayney Owen Mitchell

25 December 2019

4

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25 December 2019

author name string

John Bo Mitchell

4

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16 October 2017

29 October 2008

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Chemistry Central Journal

25 December 2019

published in

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volume

2

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25 December 2019

page(s)

21

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https://scigraph.springernature.com/pub.10.1186/1752-153x-2-21

25 December 2019

exact match

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cites work

Melting point prediction employing k-nearest neighbor algorithms and genetic parameter optimization

1 reference

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Computational methods in developing quantitative structure-activity relationships (QSAR): a review

29 May 2018

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General melting point prediction based on a diverse compound data set and artificial neural networks

29 May 2018

1 reference

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The Problem of Overfitting

29 May 2018

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

29 May 2018

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Variable selection for QSAR by artificial ant colony systems

29 May 2018

1 reference

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Ant algorithms for discrete optimization

29 May 2018

1 reference

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Structure-activity relationships of antifilarial antimycin analogues: a multivariate pattern recognition study.

29 May 2018

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In silico ADME modelling 2: computational models to predict human serum albumin binding affinity using ant colony systems.

29 May 2018

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Modified ant colony optimization algorithm for variable selection in QSAR modeling: QSAR studies of cyclooxygenase inhibitors.

17 August 2018

1 reference

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Optimized block-wise variable combination by particle swarm optimization for partial least squares modeling in quantitative structure-activity relationship studies

17 August 2018

1 reference

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Development of linear, ensemble, and nonlinear models for the prediction and interpretation of the biological activity of a set of PDGFR inhibitors.

17 August 2018

1 reference

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A comparative study on feature selection methods for drug discovery.

17 August 2018

1 reference

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

17 August 2018

1 reference

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Feature selection for structure-activity correlation using binary particle swarms

17 August 2018

1 reference

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GA strategy for variable selection in QSAR studies: GA-based PLS analysis of calcium channel antagonists.

17 August 2018

1 reference

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17 August 2018

Identifiers

DOI

10.1186/1752-153X-2-21

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25 December 2019

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25 December 2019

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