MDL molfile Format
An MDL Molfile is a file format for holding information about the atoms, bonds, connectivity and coordinates of a molecule. Each molfile describes a single molecular structure which can contain disjoint fragments. The V3000 molfile and V3000 rxnfile formats are the latest versions of the specification. V3000 is a superset of V2000 in a different format. A connection table (Ctab) contains information describing the structural relationships and properties of a collection of atoms. While still commonly called a molfile, the specification has changed ownership as the companies who first created and then owned the specification changed. MDL Information Systems (MDL) originally developed the format, which is currently owned by Dassault Systemes. Please note that a public, official homepage cannot be found, and therefore an alternative location has been provided.
Description
More detailed information about this field from each metasource.
An MDL Molfile is a file format for holding information about the atoms, bonds, connectivity and coordinates of a molecule. Each molfile describes a single molecular structure which can contain disjoint fragments. The V3000 molfile and V3000 rxnfile formats are the latest versions of the specification. V3000 is a superset of V2000 in a different format. A connection table (Ctab) contains information describing the structural relationships and properties of a collection of atoms. While still commonly called a molfile, the specification has changed ownership as the companies who first created and then owned the specification changed. MDL Information Systems (MDL) originally developed the format, which is currently owned by Dassault Systemes. Please note that a public, official homepage cannot be found, and therefore an alternative location has been provided.
metasource: Fairsharing.orgversion: FAIRsharing.org: MDL molfile Format; MDL molfile Format; DOI: https://doi.org/10.25504/FAIRsharing.hxvt6c; Last edited: April 15, 2021, 3:19 p.m.; Last accessed: Jan 03 2022 7:12 p.m.
Webpage:
http://c4.cabrillo.edu/404/ctfile.pdfWebpage
More detailed information about this field from each metasource.
http://c4.cabrillo.edu/404/ctfile.pdf
metasource: Fairsharing.orgversion: FAIRsharing.org: MDL molfile Format; MDL molfile Format; DOI: https://doi.org/10.25504/FAIRsharing.hxvt6c; Last edited: April 15, 2021, 3:19 p.m.; Last accessed: Jan 03 2022 7:12 p.m.
Publications:
Publications
More detailed information about this field from each metasource.
http://dx.doi.org/10.1021/ci00007a012
metasource: Fairsharing.org
version: FAIRsharing.org: MDL molfile Format; MDL molfile Format; DOI: https://doi.org/10.25504/FAIRsharing.hxvt6c; Last edited: April 15, 2021, 3:19 p.m.; Last accessed: Jan 03 2022 7:12 p.m.
Publications
More detailed information about this field from each metasource.
http://dx.doi.org/10.1021/ci00007a012
metasource: Fairsharing.orgversion: FAIRsharing.org: MDL molfile Format; MDL molfile Format; DOI: https://doi.org/10.25504/FAIRsharing.hxvt6c; Last edited: April 15, 2021, 3:19 p.m.; Last accessed: Jan 03 2022 7:12 p.m.
Tags:
Tags
More detailed information about this field from each metasource.
molecular entity
metasource: Fairsharing.org
version: FAIRsharing.org: MDL molfile Format; MDL molfile Format; DOI: https://doi.org/10.25504/FAIRsharing.hxvt6c; Last edited: April 15, 2021, 3:19 p.m.; Last accessed: Jan 03 2022 7:12 p.m.
molecular structure
metasource: Fairsharing.org
version: FAIRsharing.org: MDL molfile Format; MDL molfile Format; DOI: https://doi.org/10.25504/FAIRsharing.hxvt6c; Last edited: April 15, 2021, 3:19 p.m.; Last accessed: Jan 03 2022 7:12 p.m.
x-ray crystallography assay
metasource: Fairsharing.org
version: FAIRsharing.org: MDL molfile Format; MDL molfile Format; DOI: https://doi.org/10.25504/FAIRsharing.hxvt6c; Last edited: April 15, 2021, 3:19 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: MDL molfile Format; MDL molfile Format; DOI: https://doi.org/10.25504/FAIRsharing.hxvt6c; Last edited: April 15, 2021, 3:19 p.m.; Last accessed: Jan 03 2022 7:12 p.m.
molecular structure
metasource: Fairsharing.orgversion: FAIRsharing.org: MDL molfile Format; MDL molfile Format; DOI: https://doi.org/10.25504/FAIRsharing.hxvt6c; Last edited: April 15, 2021, 3:19 p.m.; Last accessed: Jan 03 2022 7:12 p.m.
x-ray crystallography assay
metasource: Fairsharing.orgversion: FAIRsharing.org: MDL molfile Format; MDL molfile Format; DOI: https://doi.org/10.25504/FAIRsharing.hxvt6c; Last edited: April 15, 2021, 3:19 p.m.; Last accessed: Jan 03 2022 7:12 p.m.
molecular entity molecular structure x-ray crystallography assay
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