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SiMolecule
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centres
Perception and labelling of stereogenic centres in chemical structures
BSD 2-Clause "Simplified" License
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Atropisomer configuration dependent on atom and bond ordering when one aryl ring has only 1 ortho substituent
#15
iclkevin
closed
5 months ago
2
Atropisomer is detected and given configuration when aryl ring on one side is symmetrical
#14
iclkevin
closed
5 months ago
9
Atropisomeric issue: result based on order of bonds from atom in BaseMol
#13
iclkevin
closed
7 months ago
3
Aromatic resonance bond support
#12
iclkevin
closed
7 months ago
4
Create CITATION.cff
#11
Kohulan
closed
1 year ago
0
Citation information
#10
Kohulan
closed
1 year ago
4
How to properly handle non-elemental labels consistently?
#9
iclkevin
closed
1 year ago
13
Inconsistent pseudoasymmetric state on Rule 6 center
#8
iclkevin
closed
1 year ago
7
fix typo & link & remove unnecessary `
#7
nobkd
closed
1 year ago
0
more opportunistic stereo assignment for polymers
#6
egonw
closed
7 months ago
1
Allenes of length >3 atoms
#5
iclkevin
closed
1 year ago
0
Implicit hydrogens in allenes
#4
iclkevin
closed
1 year ago
0
Question about CIP labeling
#3
shubbey
closed
1 year ago
9
Bump junit from 4.12 to 4.13.1
#2
dependabot[bot]
closed
3 years ago
0
Likely typo in Rule4b.java
#1
greglandrum
closed
4 years ago
1