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mojaie
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MolecularGraph.jl
Graph-based molecule modeling toolkit for cheminformatics
MIT License
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CIP and stereochemistry
#29
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mojaie
opened
3 years ago
mojaie
commented
3 years ago
isstereocenter
for SDFileAtom (wedges not always indicate the position of stereocenter)
And stereocenter validation for SMILES
Stereochemistry of transition metals
isstereocenterfor SDFileAtom (wedges not always indicate the position of stereocenter)