You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
There have been published reports - including by the openbench team - that the predictive accuracy that is achievable by a learner on top of Morgan fingerprints increases / decreases proportional to the number of features that are generated.
I believe it would be a valuable experiment to compare the performance of the learner on top of ecfp4 embeddings across five different sizes (size of the smallest embedding from the other models, 1024, 2048, 4096, 8192).
The text was updated successfully, but these errors were encountered:
sethhowes
changed the title
Supplementary Experiment - relationship between ECFP4 fingerprint embedding size and predictive accuracy
Explore relationship between ECFP4 fingerprint embedding size and predictive accuracy
Jun 19, 2023
There have been published reports - including by the openbench team - that the predictive accuracy that is achievable by a learner on top of Morgan fingerprints increases / decreases proportional to the number of features that are generated.
I believe it would be a valuable experiment to compare the performance of the learner on top of ecfp4 embeddings across five different sizes (size of the smallest embedding from the other models, 1024, 2048, 4096, 8192).
The text was updated successfully, but these errors were encountered: