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SmiLib specifications

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Unique identifier OMICS_04990
Name SmiLib
Software type Package/Module
Interface Command line interface
Restrictions to use None
Operating system Unix/Linux, Mac OS, Windows
Programming languages Java
Computer skills Advanced
Version 2.0rc4
Stability Stable
Maintained Yes

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Publication for SmiLib

SmiLib citations

 (2)
library_books

Enumeration method for tree like chemical compounds with benzene rings and naphthalene rings by breadth first search order

2016
BMC Bioinformatics
PMCID: 4774041
PMID: 26932529
DOI: 10.1186/s12859-016-0962-4

[…] and bfsmulenum and compounds with no cycle except for benzene rings for enumol, the methods consume significantly less computational time. there are also related application softwares, e.g. smilib [] and clever [], that generate chemical compounds from given fragments. the limitation of these tools is that they require a library of desired chemical fragments, which can be generated […]

library_books

An automated Genomes to Natural Products platform (GNP) for the discovery of modular natural products

2015
Nat Commun
PMCID: 4598715
PMID: 26412281
DOI: 10.1038/ncomms9421

[…] predicted natural product considered a scaffold. the interface allows users to define sites of variability and input r groups, and select at which sites their r groups may be combinatorialized. smilib is used to enumerate the combinatorial library based on user-submitted input., a complete guide to the scaffold library generator user interface is available […]


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