libchemistry-opensmiles-perl

Description

Chemistry::OpenSMILES provides support for SMILES chemical identifiers conforming to OpenSMILES v1.0 specification.

Chemistry::OpenSMILES::Parser reads in SMILES strings and returns them parsed to arrays of Graph::Undirected objects. Each atom is represented by a hash.

Chemistry::OpenSMILES::Writer performs the inverse operation. Generated SMILES strings are by no means optimal.

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Homepage

https://metacpan.org/release/Chemistry-OpenSMILES

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