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David Koes edited paragraph_Toolkits_The_Biochemical_Algorithms__.tex
about 8 years ago
Commit id: 8bb85f311ebcc3f4cf0c52bdb8ef99c7b6cc2735
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CurlySMILES \cite{Drefahl_2011} provides parsing functionality for an extension of the SMILES format that supports the description of complex molecular systems.
DisCuS (Database System for Compound Selection) \cite{W_jcikowski_2014} provides support for analyzing the results of a high throughput screen.
Fafoom (flexible aalgorithm for optimization of molecules) \cite{Supady_2015} is a Python library for identifying low energy conformers using a genetic algorithm.
fmcsR \cite{Goecks_2010} is an R package that efficiently performs flexible maximum common substructure matching that allows minor mismatches between atoms and bonds in the common substructure.