Class FormalChargeScore
MolScore --+
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FormalChargeScore
Apply penalties for formal charges. Just base on general
electronegativies and ionization energies for broad ranking purposes.
Scale penalty for negatively charged lone pairs based on the p
character of the orbital they sit in. More p (vs. s) character implies a
higher energy orbital, with electrons further away from the nucleus.
Thus, the hybridized orbitals should stabilize lone pairs better in order
from sp, sp2 to sp3.
Overide this method to return numerical score of this mol
- Overrides:
MolScore.score
- (inherited documentation)
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