Conformal prediction with python and rdkit_2 #RDKit #QSAR #Conformal_prediction

I posted about conformal prediction with python and rdkit some days ago. After that I could get very informative advice from @kjelljorner. Thanks a lot! His advice was below. Kjell Jorner @kjelljorner3dReplying to @iwatobipen I can recommend the cross conformal prediction or bootstrapped conformal prediction (also in nonconformist) to avoid having to put aside data for calibration.Continue reading “Conformal prediction with python and rdkit_2 #RDKit #QSAR #Conformal_prediction”

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