Icon

O-H_​bond_​insertion

MAF-Model RDKit-Model Onehot-Model Node 375trainingtrainingtrainingtesttesttest80/20trainingNode 706Node 901Node 903testNode 905Node 90680/20trainingtrainingtrainingtesttesttrainingMAFRDKittest80/20trainingtrainingtrainingtrainingNode 951Node 952testNode 955testOnehot 560560560XGBoost Predictor(Regression) Random Forest Learner(Regression) Gradient Boosted TreesLearner (Regression) LIBSVMLearner Random Forest Predictor(Regression) Gradient Boosted TreesPredictor (Regression) LIBSVMPredictor Partitioning XGBoost Tree EnsembleLearner (Regression) Column Filter data colletion data colletion Random Forest Predictor(Regression) XGBoost Predictor(Regression) Column Filter Partitioning Gradient Boosted TreesLearner (Regression) LIBSVMLearner XGBoost Tree EnsembleLearner (Regression) LIBSVMPredictor Gradient Boosted TreesPredictor (Regression) Random Forest Learner(Regression) MAF generation MAF generation LIBSVMPredictor Partitioning Gradient Boosted TreesLearner (Regression) LIBSVMLearner Random Forest Learner(Regression) XGBoost Tree EnsembleLearner (Regression) XGBoost Predictor(Regression) Column Filter Random Forest Predictor(Regression) data colletion Gradient Boosted TreesPredictor (Regression) generate onehotencodings Excel Reader Excel Reader Excel Reader MAF-Model RDKit-Model Onehot-Model Node 375trainingtrainingtrainingtesttesttest80/20trainingNode 706Node 901Node 903testNode 905Node 90680/20trainingtrainingtrainingtesttesttrainingMAFRDKittest80/20trainingtrainingtrainingtrainingNode 951Node 952testNode 955testOnehot560560560XGBoost Predictor(Regression) Random Forest Learner(Regression) Gradient Boosted TreesLearner (Regression) LIBSVMLearner Random Forest Predictor(Regression) Gradient Boosted TreesPredictor (Regression) LIBSVMPredictor Partitioning XGBoost Tree EnsembleLearner (Regression) Column Filter data colletion data colletion Random Forest Predictor(Regression) XGBoost Predictor(Regression) Column Filter Partitioning Gradient Boosted TreesLearner (Regression) LIBSVMLearner XGBoost Tree EnsembleLearner (Regression) LIBSVMPredictor Gradient Boosted TreesPredictor (Regression) Random Forest Learner(Regression) MAF generation MAF generation LIBSVMPredictor Partitioning Gradient Boosted TreesLearner (Regression) LIBSVMLearner Random Forest Learner(Regression) XGBoost Tree EnsembleLearner (Regression) XGBoost Predictor(Regression) Column Filter Random Forest Predictor(Regression) data colletion Gradient Boosted TreesPredictor (Regression) generate onehotencodings Excel Reader Excel Reader Excel Reader

Nodes

Extensions

Links