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New parameter: Renamed a3 to a41a43, due to moving it to the end, though it sounds like the numbering is arbitrary so could probably keep the same name. This parameter is after the 4- and 5- membered ring internal angles below.
4-membered rings (Lexie)
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New parameter: Added a new parameter to the end called a43a41.
I’ve also looked into splitting a13, as it currently covers both fused and spiro rings. Splitting them into two separate categories seems clear via the MSM parameters, so I added a13a ([*;r6:1]~;@[*;r5;x4:2]~;@[*;r5;x2:3]), which separates out the spiro rings. However, the split is less clear using Espaloma, as there is a lot of variation even within fused or spiro rings that is not present in the MSM data.
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New parameter: Added a parameter a43a a41a after a43a41.
Issue with fused rings (Lexie)
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