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SmiLib specifications


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




No version available

Publication for SmiLib

SmiLib citations


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

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 […]


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

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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