support weighted Faulon-*

Open UnixJunkie opened this issue 5 years ago • 4 comments

Weights are > 0. The sum of weights could be 1. Try with Faulon-0,1,2. The weights could be optimized to maximize neighb. behavior.

Jun 17 '20 07:06 UnixJunkie

Visualizing the different resulting MST might be insightful.

Jun 17 '20 07:06 UnixJunkie

related to https://github.com/UnixJunkie/molenc/issues/41

Jun 18 '20 09:06 UnixJunkie

related to L_1 and "fractional distance metrics" related to https://github.com/UnixJunkie/molenc/issues/82

Jul 28 '20 06:07 UnixJunkie

this would be best optimized on a regression dataset

Jul 28 '20 06:07 UnixJunkie

some regression benchmark tells me it does NOT outperform using a 2048b ECFP4...

Jul 17 '24 08:07 UnixJunkie