Protocols

SMARTS language specifications

Information


Unique identifier OMICS_14852
Name SMARTS language
Restrictions to use None
Community driven No
Data access Browse
User data submission Not allowed
Maintained Yes

Documentation


Publication for SMARTS language

SMARTS language citations

 (2)
library_books

In silico methods for linking genes and secondary metabolites: The way forward

2016
PMCID: 5640692
PMID: 29062931
DOI: 10.1016/j.synbio.2016.03.001

[…] ous post-PKS and post-NRPS modifications. To develop a retro approach 25 such reactions were stored as generic reactions (, ). Functional groups of products were also stored in a separate database in SMARTS language. The generic reactions and functional groups were generated based on sub structural changes that occur in a reaction (Supplementary methods in ). Given a polyketide or nonribosomal pep […]

call_split

Modular Chemical Descriptor Language (MCDL): Stereochemical modules

2011
J Cheminform
PMCID: 3042968
PMID: 21276272
DOI: 10.1186/1758-2946-3-5
call_split See protocol

[…] for conversion of chemical structure files from one format into others and as a C++ chemical toolkit []. The current version supports over 80 different chemical structure formats. Open Babel uses the SMARTS [] language (SMILES [] extension) for search and filtration of molecular structures. There are interfaces to other programming languages such as Perl and Python, which expand the applicability […]

SMARTS language institution(s)
Daylight Chemical Information Systems, Santa Fe, NM, USA

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