(Q33371987)

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Developing and validating predictive decision tree models from mining chemical structural fingerprints and high-throughput screening data in PubChem

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scholarly article

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Europe PubMed Central

26 July 2017

Developing and validating predictive decision tree models from mining chemical structural fingerprints and high-throughput screening data in PubChem (English)

1 reference

Europe PubMed Central

26 July 2017

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Stephen H. Bryant

3

object named as

Stephen H Bryant

1 reference

Europe PubMed Central

26 July 2017

author name string

Lianyi Han

1

1 reference

Europe PubMed Central

26 July 2017

Yanli Wang

2

1 reference

Europe PubMed Central

26 July 2017

language of work or name

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publication date

25 September 2008

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Europe PubMed Central

26 July 2017

BMC Bioinformatics

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Europe PubMed Central

26 July 2017

9

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Europe PubMed Central

26 July 2017

401

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Europe PubMed Central

26 July 2017

https://scigraph.springernature.com/pub.10.1186/1471-2105-9-401

0 references

Data-mining methods as useful tools for predicting individual drug response: application to CYP2D6 data

1 reference

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21 June 2018

A chemoinformatics analysis of hit lists obtained from high-throughput affinity-selection screening

1 reference

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21 June 2018

Novel statistical approach for primary high-throughput screening hit selection

1 reference

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21 June 2018

Computer-aided drug design strategies used in the discovery of fructose 1, 6-bisphosphatase inhibitors

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21 June 2018

Pursuing the leadlikeness concept in pharmaceutical research.

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21 June 2018

Application of chemoinformatics to high-throughput screening: practical considerations

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21 June 2018

Designing screens: how to make your hits a hit.

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21 June 2018

Strategy of computer-aided drug design.

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21 June 2018

Retrospect and prospect of virtual screening in drug discovery

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21 June 2018

Do structurally similar molecules have similar biological activity?

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Data analysis of high-throughput screening results: application of multidomain clustering to the NCI anti-HIV data set.

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21 June 2018

Diversity and complexity of HIV-1 drug resistance: a bioinformatics approach to predicting phenotype from genotype

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QSAR and k-nearest neighbor classification analysis of selective cyclooxygenase-2 inhibitors using topologically-based numerical descriptors

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21 June 2018

Data mining with decision trees for diagnosis of breast tumor in medical ultrasonic images

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21 June 2018

Retrospective analysis of an experimental high-throughput screening data set by recursive partitioning

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21 June 2018

Drug-like properties and the causes of poor solubility and poor permeability

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21 June 2018

Assessing the accuracy of prediction algorithms for classification: an overview

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21 June 2018

Application of high-throughput screening techniques to drug discovery.

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21 June 2018

Molecular modeling and computer aided drug design. Examples of their applications in medicinal chemistry

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21 June 2018

Analysis of a large structure/biological activity data set using recursive partitioning

1 reference

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21 June 2018

Computational approaches to structure-based ligand design

1 reference

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21 June 2018

New technologies for high-throughput screening

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21 June 2018

Structure-activity relationship and classification of flavonoids as inhibitors of xanthine oxidase and superoxide scavengers

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21 June 2018

Methodological aspects of using decision trees to characterise leiomyomatous tumors

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Ligand-protein docking and rational drug design.

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21 June 2018

Clinical inferences and decisions--II. Decision trees, receiver operator curves and subjective probability.

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21 June 2018

Molecular dynamics and minimum energy conformations of GnRH and analogs. A methodology for computer-aided drug design.

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21 June 2018

Computer-aided drug design

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21 June 2018

Automated critiquing of medical decision trees

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Comparison of the predicted and observed secondary structure of T4 phage lysozyme

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Classification of dopamine, serotonin, and dual antagonists by decision trees

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31 October 2018

Statistical analysis of systematic errors in high-throughput screening.

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[Artificial neural networks. Theory and applications in anesthesia, intensive care and emergency medicine].

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31 October 2018

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31 October 2018

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31 October 2018

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31 October 2018

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12 December 2020

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Graphics computer-aided receptor mapping as a predictive tool for drug design: development of potent, selective, and stereospecific ligands for the 5-HT1A receptor

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https://pubmed.ncbi.nlm.nih.gov/18817552

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Virtual screening of Chinese herbs with Random Forest

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Classification of kinase inhibitors using BCUT descriptors

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Identifiers

10.1186/1471-2105-9-401

1 reference

Europe PubMed Central

26 July 2017

DBLP publication ID

journals/bmcbi/HanWB08

1 reference

DBLP Dataset 2021-01-02

28 January 2021

Dimensions Publication ID

0 references

1 reference

Europe PubMed Central

26 July 2017

1 reference

Europe PubMed Central

26 July 2017

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