(Q30149545)

April 2022 Public Data File from Crossref

copyright status

copyrighted

1 reference

April 2022 Public Data File from Crossref

cites work

The ChEBI reference database and ontology for biologically relevant chemistry: enhancements for 2013

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3922685

ZINC: a free tool to discover chemistry for biology

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3922685

Open Babel: An open chemical toolbox

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3922685

ChEMBL: a large-scale bioactivity database for drug discovery

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3922685

Small Molecule Subgraph Detector (SMSD) toolkit

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3922685

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3922685

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

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3922685

Counterexamples in chemical ring perception.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3922685

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

3 June 2018

has goal

extends the cited work

2 references

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3922685

3 June 2018

CiteULike CiTO annotations

Stereoisomer generation in computer-enhanced structure elucidation.

2022

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3922685

Review of ring perception algorithms for chemical graphs

3 June 2018

1 reference

https://api.crossref.org/works/10.1186%2F1758-2946-6-3

Applications of graph theory in chemistry

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2F1758-2946-6-3

On the shortest spanning subtree of a graph and the traveling salesman problem

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2F1758-2946-6-3

Ring Perception Using Breadth-First Search

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2F1758-2946-6-3

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%2F1758-2946-6-3

A New Algorithm for Exhaustive Ring Perception in a Molecular Graph

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2F1758-2946-6-3

Algorithm 447: efficient algorithms for graph manipulation

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2F1758-2946-6-3

Computation and management of chemical properties in CACTVS: An extensible networked approach toward modularity and compatibility

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2F1758-2946-6-3

Unique ring families: a chemically meaningful description of molecular ring topologies

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2F1758-2946-6-3

Program fullerene: a software package for constructing and analyzing structures of regular fullerenes

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/24479757

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1186/1758-2946-6-3

0 references

DBLP publication ID

journals/jcheminf/MayS14

1 reference

DBLP Dataset 2021-01-02