PaDEL 3D descriptor - Githubissues

mordred-descriptor / mordred

a molecular descriptor calculator

http://mordred-descriptor.github.io/documentation/master/

BSD 3-Clause "New" or "Revised" License

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PaDEL 3D descriptor #2

Closed philopon closed 8 years ago

philopon commented 8 years ago

[ ] 3D autocorrelation
[x] Charged partial surface area
[x] Gravitational index
[x] Length over breadth
- pending
- Rotating calipers
[x] Moment of inertia
[x] Petitjean shape index
[ ] RDF
[ ] WHIM

philopon commented 8 years ago

split