(Q52024018)

20 April 2018

title

Comparison of chemical clustering methods using graph- and fingerprint-based similarity measures. (English)

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20 April 2018

3

Peter Willett

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20 April 2018

author name string

John W Raymond

series ordinal

1

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20 April 2018

C John Blankley

series ordinal

2

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20 April 2018

publication date

1 March 2003

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20 April 2018

Journal of Molecular Graphics & Modelling

published in

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20 April 2018

volume

21

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20 April 2018

issue

5

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20 April 2018

page(s)

421-433

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20 April 2018

Relations between chemical structure and biological activity in peptides

cites work

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2802%2900188-2

7 January 2021

A method for the automatic classification of chemical structures

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2802%2900188-2

7 January 2021

Hierarchical Grouping to Optimize an Objective Function

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2802%2900188-2

7 January 2021

A Survey of Recent Advances in Hierarchical Clustering Algorithms

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2802%2900188-2

7 January 2021

Chemical Similarity Searching

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2802%2900188-2

7 January 2021

Heuristics for similarity searching of chemical graphs using a maximum common edge subgraph algorithm

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2802%2900188-2

7 January 2021

Effectiveness of graph-based and fingerprint-based similarity measures for virtual screening of 2D chemical structure databases.

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2802%2900188-2

7 January 2021

Comparison of 2D fingerprint types and hierarchy level selection methods for structural grouping using Ward's clustering

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2802%2900188-2

7 January 2021

Clustering gene expression patterns

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2802%2900188-2

7 January 2021

An automated approach for clustering an ensemble of NMR-derived protein structures into conformationally related subfamilies

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2802%2900188-2

7 January 2021

10.1016/S1093-3263(02)00188-2

Identifiers

DOI

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20 April 2018

1 reference

20 April 2018