Open Access

Journal of Cheminformatics

, volume 7 , issue 1 , publication number 23

InChI, the IUPAC International Chemical Identifier

Stephen R. Heller ¹

Alan Mcnaught ²

Igor Pletnev ³

Stephen Stein ¹

Dmitrii Tchekhovskoi ¹

Hide authors affiliations Show authors affiliations: 3 affiliations

Biomolecular Measurement Division, National Institute of Standards and Technology, Gaithersburg, USA |

InChI Trust, Cambridge, UK |

Department of Chemistry, Lomonosov Moscow State University, Moscow, Russia |

Publication type: Journal Article

Publication date: 2015-05-30

Springer Nature

Journal of Cheminformatics

scimago Q1

wos Q1

SJR: 1.570

CiteScore: 11.3

Impact factor: 5.7

ISSN: 17582946

DOI: 10.1186/s13321-015-0068-4

Copy DOI

PubMed ID: 26136848

Physical and Theoretical Chemistry

Computer Science Applications

Library and Information Sciences

Computer Graphics and Computer-Aided Design

Abstract

This paper documents the design, layout and algorithms of the IUPAC International Chemical Identifier, InChI.

Found

1 citation

Blatov Vladislav

DSc in Chemistry, professor

307 publications, 14 678 citations, 90 reviews

h-index: 52

Samara State Technical University

Research interests

Databases

Materials Science

1 citation

Morozov Sergey

DSc in Physics and Mathematics

683 publications, 144 658 citations

h-index: 80

A.V. Gaponov-Grekhov Institute of Applied Physics of the Russian Academy of Sciences

Lobachevsky State University of Nizhny Novgorod

1 citation

Hofmockel Kirsten

99 publications, 3 864 citations, 10 reviews

h-index: 28

Pacific Northwest National Laboratory

Iowa State University

1 citation

Tchougreeff Andrei

🥼

DSc in Physics and Mathematics

124 publications, 8 031 citations, 10 reviews

h-index: 18

A.N. Frumkin Institute of Physical Chemistry and Electrochemistry of the Russian Academy of Sciences

Computational chemistry

Condensed matter physics

Coordination Chemistry

Physical Chemistry

Quantum Chemistry

Theoretical Chemistry

1 citation

WAHEED WAJID

🥼 🤝

43 publications, 990 citations, 21 reviews

h-index: 19

Sher-e-Kashmir University of Agricultural Sciences and Technology of Kashmir

Research interests

Metabolic Engineering

Plant biochemistry

Synthetic biology

1 citation

REMY Simon

14 publications, 123 citations

h-index: 6

University of Reims Champagne-Ardenne

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GOST |

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GOST Copy

Heller S. R. et al. InChI, the IUPAC International Chemical Identifier // Journal of Cheminformatics. 2015. Vol. 7. No. 1. 23

GOST all authors (up to 50) Copy

Heller S. R., Mcnaught A., Pletnev I., Stein S., Tchekhovskoi D. InChI, the IUPAC International Chemical Identifier // Journal of Cheminformatics. 2015. Vol. 7. No. 1. 23

RIS |

Cite this

RIS Copy

TY - JOUR

DO - 10.1186/s13321-015-0068-4

UR - https://jcheminf.biomedcentral.com/articles/10.1186/s13321-015-0068-4

TI - InChI, the IUPAC International Chemical Identifier

T2 - Journal of Cheminformatics

AU - Heller, Stephen R.

AU - Mcnaught, Alan

AU - Pletnev, Igor

AU - Stein, Stephen

AU - Tchekhovskoi, Dmitrii

PY - 2015

DA - 2015/05/30

PB - Springer Nature

IS - 1

VL - 7

PMID - 26136848

SN - 1758-2946

ER -

BibTex

Cite this

BibTex (up to 50 authors) Copy

@article{2015_Heller,

author = {Stephen R. Heller and Alan Mcnaught and Igor Pletnev and Stephen Stein and Dmitrii Tchekhovskoi},

title = {InChI, the IUPAC International Chemical Identifier},

journal = {Journal of Cheminformatics},

year = {2015},

volume = {7},

publisher = {Springer Nature},

month = {may},

url = {https://jcheminf.biomedcentral.com/articles/10.1186/s13321-015-0068-4},

number = {1},

pages = {23},

doi = {10.1186/s13321-015-0068-4}

}

Publisher

Springer Nature

Journal

Journal of Cheminformatics

scimago Q1

wos Q1

SJR

1.570

CiteScore

11.3

Impact factor

5.7

ISSN

17582946 (Print, Electronic)

Profiles

Igor V Pletnev