Open 0ut0fcontrol opened 4 years ago
Thanks for the suggestions. Would you like to write a short update to this section? Discussing bias in data sets and evaluations is definitely of interest to us.
I could likely review that pull request, though I can't promise a specific timeline. If you want to make a pull request, I recommend
I agree with @agitter : a short update to that section as a pull request would be great - thanks - with the same caveats :)
Hi, @mapleleaf-soar and I found AI models (e.g. AtomNet #56, ACNN #287) achieve high performance on DUD-E and PDBbind data sets because they learned the bias in the data sets. REF #1008
For example:
Others also found the bias in DUD-E. REF #1009 #1010
I believe the subsection
Structure-based prediction of bioactivity
need to be updated and try to work on it.Any comments and suggestions are welcome!