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BIOVIA Drug Discovery & Development
number of sp3 & sp2 hybridized carbons in a molecule
number of sp3 & sp2 hybridized carbons in a molecule
SM
SM
2015-02-04
BIOVIA Drug Discovery & Development
Is there any protocol to compute the number of sp3 and sp2 hybridized carbons in a given set of molecules ? I couldn't locate these descriptors under 'Calculate Molecular Properties' protocol in DS2.5.