(Q27162921)

1

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Gemma L. Holliday

object named as

Gemma L Holliday

4

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Nicholas Furnham

3

object named as

Nicholas Furnham

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author name string

Sergio Martinez Cuesta

Recent Developments of the Chemistry Development Kit (CDK) - An Open-Source Java Library for Chemo- and Bioinformatics

2

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language of work or name

English

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publication date

February 2014

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published in

Nature Methods

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volume

11

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page(s)

171-4

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issue

2

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cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4122987

InChI - the worldwide chemical structure identifier standard

21 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4122987

Open Babel: An open chemical toolbox

21 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4122987

Extending CATH: increasing coverage of the protein structure universe and linking structure with function

21 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4122987

Small Molecule Subgraph Detector (SMSD) toolkit

21 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4122987

Automatic assignment of EC numbers

21 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4122987

Description of several chemical structure file formats used by computer programs developed at Molecular Design Limited

21 March 2017

1 reference

https://api.crossref.org/works/10.1038/NMETH.2803

KEGG for integration and interpretation of large-scale molecular data sets

22 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4122987

ROCR: visualizing classifier performance in R

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4122987

Gene3D: a domain-based resource for comparative genomics, functional annotation and protein network analysis

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4122987

Network visualization and analysis of gene expression data using BioLayout Express(3D).

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4122987

Prediction of oxidoreductase-catalyzed reactions based on atomic properties of metabolites

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4122987

Computational assignment of the EC numbers for genomic-scale analysis of enzymatic reactions

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4122987

History of the enzyme nomenclature system

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4122987

E-zyme: predicting potential EC numbers from the chemical transformation pattern of substrate-product pairs

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4122987

Using reaction mechanism to measure enzyme similarity.

31 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4122987

Classification and nomenclature of enzymes.

31 May 2018

1 reference

https://api.crossref.org/works/10.1038%2FNMETH.2803

Automatic assignment of reaction operators to enzymatic reactions.

21 January 2018

1 reference

https://api.crossref.org/works/10.1038%2FNMETH.2803

Genome scale enzyme-metabolite and drug-target interaction predictions using the signature molecular descriptor.

21 January 2018

1 reference

https://api.crossref.org/works/10.1038%2FNMETH.2803

Structure-Based Classification of Chemical Reactions without Assignment of Reaction Centers

21 January 2018

1 reference

https://api.crossref.org/works/10.1038%2FNMETH.2803

Genome-Scale Classification of Metabolic Reactions: A Chemoinformatics Approach

21 January 2018

1 reference

https://api.crossref.org/works/10.1038%2FNMETH.2803

Metabolic pathway analysis web service (Pathway Hunter Tool at CUBIC).

21 January 2018

1 reference

https://api.crossref.org/works/10.1038%2FNMETH.2803

Specification of Molecular Chirality

21 January 2018

1 reference

https://api.crossref.org/works/10.1038%2FNMETH.2803

Basic Principles of the CIP-System and Proposals for a Revision

21 January 2018

1 reference

https://api.crossref.org/works/10.1038%2FNMETH.2803

21 January 2018

Identifiers

DOI

10.1038/NMETH.2803

1 reference

Dimensions Publication ID

1141830

1047274180

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1141830

1 reference

1 reference

1 reference