Simplified Molecular Input Line Entry Specification Format
Names
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Simplified Molecular Input Line Entry Specification Format
metasource: Fairsharing.org
version: FAIRsharing.org: SMILES; Simplified Molecular Input Line Entry Specification Format; DOI: https://doi.org/10.25504/FAIRsharing.qv4b3c; Last edited: Jan. 8, 2019, 1:28 p.m.; Last accessed: Jan 03 2022 7:12 p.m.
SMILES
metasource: Fairsharing.org
version: FAIRsharing.org: SMILES; Simplified Molecular Input Line Entry Specification Format; DOI: https://doi.org/10.25504/FAIRsharing.qv4b3c; Last edited: Jan. 8, 2019, 1:28 p.m.; Last accessed: Jan 03 2022 7:12 p.m.
Names
More detailed information about this field from each metasource.
Simplified Molecular Input Line Entry Specification Format
metasource: Fairsharing.orgversion: FAIRsharing.org: SMILES; Simplified Molecular Input Line Entry Specification Format; DOI: https://doi.org/10.25504/FAIRsharing.qv4b3c; Last edited: Jan. 8, 2019, 1:28 p.m.; Last accessed: Jan 03 2022 7:12 p.m.
SMILES
metasource: Fairsharing.orgversion: FAIRsharing.org: SMILES; Simplified Molecular Input Line Entry Specification Format; DOI: https://doi.org/10.25504/FAIRsharing.qv4b3c; Last edited: Jan. 8, 2019, 1:28 p.m.; Last accessed: Jan 03 2022 7:12 p.m.
Names
More detailed information about this field from each metasource.
Simplified Molecular Input Line Entry Specification Format
metasource: Fairsharing.orgversion: FAIRsharing.org: SMILES; Simplified Molecular Input Line Entry Specification Format; DOI: https://doi.org/10.25504/FAIRsharing.qv4b3c; Last edited: Jan. 8, 2019, 1:28 p.m.; Last accessed: Jan 03 2022 7:12 p.m.
SMILES
metasource: Fairsharing.orgversion: FAIRsharing.org: SMILES; Simplified Molecular Input Line Entry Specification Format; DOI: https://doi.org/10.25504/FAIRsharing.qv4b3c; Last edited: Jan. 8, 2019, 1:28 p.m.; Last accessed: Jan 03 2022 7:12 p.m.
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This format is an open specification version of the SMILES language, a typographical line notation for specifying chemical structure. It is hosted under the banner of the Blue Obelisk project, with the intent to solicit contributions and comments from the entire computational chemistry community.
Description
More detailed information about this field from each metasource.
This format is an open specification version of the SMILES language, a typographical line notation for specifying chemical structure. It is hosted under the banner of the Blue Obelisk project, with the intent to solicit contributions and comments from the entire computational chemistry community.
metasource: Fairsharing.orgversion: FAIRsharing.org: SMILES; Simplified Molecular Input Line Entry Specification Format; DOI: https://doi.org/10.25504/FAIRsharing.qv4b3c; Last edited: Jan. 8, 2019, 1:28 p.m.; Last accessed: Jan 03 2022 7:12 p.m.
Webpage:
http://www.opensmiles.org/spec/open-smiles.htmlWebpage
More detailed information about this field from each metasource.
http://www.opensmiles.org/spec/open-smiles.html
metasource: Fairsharing.orgversion: FAIRsharing.org: SMILES; Simplified Molecular Input Line Entry Specification Format; DOI: https://doi.org/10.25504/FAIRsharing.qv4b3c; Last edited: Jan. 8, 2019, 1:28 p.m.; Last accessed: Jan 03 2022 7:12 p.m.
Publications:
Publications
More detailed information about this field from each metasource.
mol2chemfig, a tool for rendering chemical structures from molfile or SMILES format to LATE X code
PMID: 23031664
metasource: Fairsharing.org
version: FAIRsharing.org: SMILES; Simplified Molecular Input Line Entry Specification Format; DOI: https://doi.org/10.25504/FAIRsharing.qv4b3c; Last edited: Jan. 8, 2019, 1:28 p.m.; Last accessed: Jan 03 2022 7:12 p.m.
http://dx.doi.org/10.1021/ci00057a005
metasource: Fairsharing.org
version: FAIRsharing.org: SMILES; Simplified Molecular Input Line Entry Specification Format; DOI: https://doi.org/10.25504/FAIRsharing.qv4b3c; Last edited: Jan. 8, 2019, 1:28 p.m.; Last accessed: Jan 03 2022 7:12 p.m.
http://dx.doi.org/10.1021/ci00062a008
metasource: Fairsharing.org
version: FAIRsharing.org: SMILES; Simplified Molecular Input Line Entry Specification Format; DOI: https://doi.org/10.25504/FAIRsharing.qv4b3c; Last edited: Jan. 8, 2019, 1:28 p.m.; Last accessed: Jan 03 2022 7:12 p.m.
http://dx.doi.org/10.1021/ci00067a005
metasource: Fairsharing.org
version: FAIRsharing.org: SMILES; Simplified Molecular Input Line Entry Specification Format; DOI: https://doi.org/10.25504/FAIRsharing.qv4b3c; Last edited: Jan. 8, 2019, 1:28 p.m.; Last accessed: Jan 03 2022 7:12 p.m.
Publications
More detailed information about this field from each metasource.
mol2chemfig, a tool for rendering chemical structures from molfile or SMILES format to LATE X code
PMID: 23031664
metasource: Fairsharing.org
version: FAIRsharing.org: SMILES; Simplified Molecular Input Line Entry Specification Format; DOI: https://doi.org/10.25504/FAIRsharing.qv4b3c; Last edited: Jan. 8, 2019, 1:28 p.m.; Last accessed: Jan 03 2022 7:12 p.m.
http://dx.doi.org/10.1021/ci00057a005
metasource: Fairsharing.orgversion: FAIRsharing.org: SMILES; Simplified Molecular Input Line Entry Specification Format; DOI: https://doi.org/10.25504/FAIRsharing.qv4b3c; Last edited: Jan. 8, 2019, 1:28 p.m.; Last accessed: Jan 03 2022 7:12 p.m.
http://dx.doi.org/10.1021/ci00062a008
metasource: Fairsharing.orgversion: FAIRsharing.org: SMILES; Simplified Molecular Input Line Entry Specification Format; DOI: https://doi.org/10.25504/FAIRsharing.qv4b3c; Last edited: Jan. 8, 2019, 1:28 p.m.; Last accessed: Jan 03 2022 7:12 p.m.
http://dx.doi.org/10.1021/ci00067a005
metasource: Fairsharing.orgversion: FAIRsharing.org: SMILES; Simplified Molecular Input Line Entry Specification Format; DOI: https://doi.org/10.25504/FAIRsharing.qv4b3c; Last edited: Jan. 8, 2019, 1:28 p.m.; Last accessed: Jan 03 2022 7:12 p.m.
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mol2chemfig, a tool for rendering chemical structures from molfile or SMILES format to LATE X code
PubMed citations: 1.
1 articles citing: mol2chemfig, a tool for rendering chemical structures from molfile or SMILES format to LATE X code
Open source molecular modeling. PMID:27631126 - http://dx.doi.org/10.1021/ci00057a005
- http://dx.doi.org/10.1021/ci00062a008
- http://dx.doi.org/10.1021/ci00067a005
Tags:
Tags
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molecular entity
metasource: Fairsharing.org
version: FAIRsharing.org: SMILES; Simplified Molecular Input Line Entry Specification Format; DOI: https://doi.org/10.25504/FAIRsharing.qv4b3c; Last edited: Jan. 8, 2019, 1:28 p.m.; Last accessed: Jan 03 2022 7:12 p.m.
molecular structure
metasource: Fairsharing.org
version: FAIRsharing.org: SMILES; Simplified Molecular Input Line Entry Specification Format; DOI: https://doi.org/10.25504/FAIRsharing.qv4b3c; Last edited: Jan. 8, 2019, 1:28 p.m.; Last accessed: Jan 03 2022 7:12 p.m.
Tags
More detailed information about this field from each metasource.
molecular entity
metasource: Fairsharing.orgversion: FAIRsharing.org: SMILES; Simplified Molecular Input Line Entry Specification Format; DOI: https://doi.org/10.25504/FAIRsharing.qv4b3c; Last edited: Jan. 8, 2019, 1:28 p.m.; Last accessed: Jan 03 2022 7:12 p.m.
molecular structure
metasource: Fairsharing.orgversion: FAIRsharing.org: SMILES; Simplified Molecular Input Line Entry Specification Format; DOI: https://doi.org/10.25504/FAIRsharing.qv4b3c; Last edited: Jan. 8, 2019, 1:28 p.m.; Last accessed: Jan 03 2022 7:12 p.m.
molecular entity molecular structure
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