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diff --git a/paper/loael.rst b/paper/loael.rst index 50b7a6a..482a70d 100644 --- a/paper/loael.rst +++ b/paper/loael.rst @@ -32,3 +32,34 @@ with "identical" values r^2: 0.6106457754533314 RMSE: 1.2228212261024438 MAE: 0.801626064534318 + +Methods +------- + +Fingerprints +............ + ++ OB Fingerprints (add MNA) +- Fingerprint counts +- Physchem Descriptors (OB only?) + +Feature selection +................. + ++ none +* t-test (nonparam?) (qual) +- correlation (quant) + +Similarity calculation +...................... + ++ tanimoto +* weighted tanimoto +- cosine +- wighted cosine + +Regression +.......... + ++ weighted majority vote +* local linear regression |