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Have a meeting with David and John to have talk about authorship
PR for Jessica Maat as author
Remove Josh Fass from author
Figure 1 update the molecular mechanics (MM in QCA)
WBO versus MBO check with Josh Horton if he’s done additional work
Figure 7 consider moving to the main text from the SI
Put the trivalent nitrogen figure into the supplementary
conformations/chemical environment figure and standard deviation
2.4 write out main point “Make sure WBO can use to interpolate torsion parameters”

Tasks for Jessica:

Add slope intercept and errors for the interpolated parameter torsion barrier versus WBO plot Jessica Maat (Deactivated) Part A
Table SMIRKS patters for the torsion types force constant, r² and 95% CI
Second figure: 9 subplots, represent one molecule per cluster
Table for the interpolated parameters - slopes, intercept (maybe), error
Table for the interpolated force constant for all of the molecules (in SI)
Evaluation of how good the MM fits are
Part B. MM versus QM for a few molecules, example from figure A, and one or two more molecules
SI Include all molecules of MM versus QM in the
SI Table of r² and 95% CI and force constants
Write detailed outline of the section 2.4
Add figures with captions
Inkscape for .svg files, open source illustrator, or powerpoint, or keynote
Compile the paper with Manubot