#3 PaDEL-Descriptor

open
nobody
None
5
2012-10-08
2011-07-13
Egon Willighagen
No

Interface for QSAR descriptor and fingerprint calculation, which adds descriptors and fingerprints.

Very liberal license: "This software is free for all (e.g. personal, academic, non-profit, non-commercial, government, commercial, etc) to use."

Described in Yap CW (2010). PaDEL-Descriptor: An open source software to calculate molecular descriptors and fingerprints. Journal of Computational Chemistry. 32 (7): 1466-1474

Integregation has started, but is somewhat stalled now:

https://github.com/cdk/cdk/tree/dev-1.4.x-padel

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