Atom mapping with constraint programming (Q43056137)

13 November 2017

Atom mapping with constraint programming (English)

1 reference

13 November 2017

5

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13 November 2017

6

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13 November 2017

Martin Mann

1

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Rolf Backofen

series ordinal

4

object named as

Rolf Backofen

1 reference

13 November 2017

2

Feras Nahar

1 reference

13 November 2017

Norah Schnorr

3

1 reference

13 November 2017

29 November 2014

1 reference

Algorithms for Molecular Biology

13 November 2017

1 reference

13 November 2017

9

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13 November 2017

23

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13 November 2017

1

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Creative Commons Attribution 4.0 International

13 November 2017

start time

29 November 2014

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

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exact match

https://scigraph.springernature.com/pub.10.1186/s13015-014-0023-3

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cites work

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

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4256833

An open-source java platform for automated reaction mapping

26 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4256833

Metabolite and reaction inference based on enzyme specificities

26 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4256833

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

26 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4256833

Prodrugs: design and clinical applications.

26 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4256833

Maximum common subgraph: some upper bound and lower bound results

26 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4256833

Scale-freeness and biological networks

26 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4256833

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

26 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4256833

Efficient extraction of mapping rules of atoms from enzymatic reaction data

26 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4256833

Maximum common subgraph isomorphism algorithms for the matching of chemical structures

26 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4256833

13C metabolic flux analysis

26 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4256833

Models for identification of erroneous atom-to-atom mapping of reactions performed by automated algorithms.

26 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4256833

Accurate atom-mapping computation for biochemical reactions

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4256833

Stereochemically consistent reaction mapping and identification of multiple reaction mechanisms through integer linear optimization.

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4256833

Computing atom mappings for biochemical reactions without subgraph isomorphism

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4256833

Automatic assignment of reaction operators to enzymatic reactions.

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4256833

Analysis of metabolic network based on conservation of molecular structure.

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4256833

Using atom mapping rules for an improved detection of relevant routes in weighted metabolic networks.

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4256833

Automatic determination of reaction mappings and reaction center information. 2. Validation on a biochemical reaction database.

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4256833

Automatic determination of reaction mappings and reaction center information. 1. The imaginary transition state energy approach.

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4256833

Heuristics for chemical compound matching.

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4256833

A (sub)graph isomorphism algorithm for matching large graphs.

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4256833

A Short Review of Chemical Reaction Database Systems, Computer-Aided Synthesis Design, Reaction Prediction and Synthetic Feasibility

16 August 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13015-014-0023-3

Organizing Principle of Complex Reactions and Theory of Coarctate Transition States

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13015-014-0023-3

SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13015-014-0023-3

Performance evaluation of the VF graph matching algorithm

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13015-014-0023-3

10.1186/S13015-014-0023-3

21 January 2018

Identifiers

DOI

1 reference

journals/almob/MannNSBSF14

13 November 2017

1 reference

DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

0 references

1 reference

13 November 2017

1 reference

PMCID

4256833