InChI, the IUPAC International Chemical Identifier (Q21146620)

16 August 2022

2

Alan McNaught

Alan

McNaught

1 reference

16 August 2022

3

Igor Pletnev

Igor

Pletnev

1 reference

16 August 2022

5

Dmitrii Tchekhovskoi

Dmitrii

Tchekhovskoi

1 reference

16 August 2022

4

Stephen Stein

Stephen

Stein

1 reference

1049291781

Journal of Cheminformatics

16 August 2022

language of work or name

English

0 references

publication date

2015

0 references

published in

0 references

volume

7

0 references

issue

1

0 references

page(s)

23

0 references

copyright license

Creative Commons Attribution 4.0 International

start time

30 May 2015

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

0 references

cites work

InChI, the IUPAC International Chemical Identifier

0 references

InChI - the worldwide chemical structure identifier standard

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4486400

InChIKey collision resistance: an experimental testing

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4486400

UniChem: a unified chemical structure cross-referencing and identifier tracking system

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4486400

Towards a Universal SMILES representation - A standard method to generate canonical SMILES based on the InChI

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4486400

SYBYL line notation (SLN): a single notation to represent chemical structures, queries, reactions, and virtual libraries

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4486400

How the WLN began in 1949 and how it might be in 1999

12 September 2017

1 reference

https://api.crossref.org/works/10.1186%2FS13321-015-0068-4

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%2FS13321-015-0068-4

SMILES. 2. Algorithm for generation of unique SMILES notation

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-015-0068-4

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-015-0068-4

SYBYL Line Notation (SLN): A Versatile Language for Chemical Structure Representation†

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-015-0068-4

One-wedge convention for stereochemical representations

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/26136848

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Glossary of terms used in physical organic chemistry (IUPAC Recommendations 1994)

1 reference

https://api.crossref.org/works/10.1186%2FS13321-015-0068-4

inferred from DOI database lookup

7 January 2021

based on heuristic

The Making of Reaxys—Towards Unobstructed Access to Relevant Chemistry Information

1 reference

COCI

https://opencitations.net/index/coci/api/v1/citations/10.1021/BK-2014-1164.CH008

10.1186/S13321-015-0068-4

14 May 2022

Identifiers

DOI

1 reference

Consolidated OpenCitations Corpus – April 2017

OpenCitations bibliographic resource ID

3345856

DBLP publication ID

journals/jcheminf/HellerMPST15

1 reference

DBLP Dataset 2021-01-02

28 January 2021

https://scigraph.springernature.com/pub.10.1186/s13321-015-0068-4

1 reference

9 September 2019

OpenCitations bibliographic resource ID

3345856

1 reference