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David Koes edited paragraph_Toolkits_The_Biochemical_Algorithms__.tex
about 8 years ago
Commit id: 9515c363ac6cc33c125ae72d40f0d26cbde46d13
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MayChemTools is a collection of Perl script for manipulating chemical data, interfacing with databases, generating fingerprints, performing similarity search, and computing molecular properties.
Mychem is built using OpenBabel and provides and extension to the MySQL database package that adds the ability to search, analyze, and convert chemical data within a MySQL database.
The Open Drug Discovery Toolkit (ODDT) \cite{W_jcikowski_2015} is entirely written in Python, is built on top of RDKit and OpenBabel, and is focused on providing enhanced functionality for managing and implementing drug discovery workflows, such as making it easy to implement a docking pipeline.
The Open Molecule Generator (OMG) \cite{Peironcely_2012} enumerates all possible chemical structures given constraints on their composition.
\paragraph{Graphical Development Environments}