greenelab / deep-review

A collaboratively written review paper on deep learning, genomics, and precision medicine
https://greenelab.github.io/deep-review/
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Update subsection: Structure-based prediction of bioactivity #1011

Open 0ut0fcontrol opened 4 years ago

0ut0fcontrol commented 4 years ago

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:

We found ACNN model can achieve "state-of-the-art" in PDBbind data set using ligand alone.😂 acnn

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!

agitter commented 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

cgreene commented 4 years ago

I agree with @agitter : a short update to that section as a pull request would be great - thanks - with the same caveats :)