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MAYGEN: an open-source chemical structure generator for constitutional isomers based on the orderly generation principle.
Mehmet Aziz Yirik
Maria Sorokina
Christoph Steinbeck
Published in:
J. Cheminformatics (2021)
Keyphrases
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open source
neural network
hierarchical structure
image structure
geometric structure
driving force
artificial intelligence
database systems
search algorithm
expert systems
relational databases
structural information
structural features