TEMPO_Oxidation_predicition
This directory contains 4 workflows.
Oxidation_AGMP_open_access
Workflow of AGMP: 1. Preparation. Load the data of training set and test set;. 2. Data processing. The MAF was generated based on RDKit. First, the Morgan […]
Oxidation_AGMP_test_open_access
Workflow of AGMP: 1. Preparation. Load the data of training set and external test set;. 2. Data processing. The MAF was generated based on RDKit. First, the […]
Oxidation_onehot_open_access
Workflow of AGMP: 1. Preparation. Load the data of training set and test set;. 2. Data processing. The One-hot encoded features for substrates were […]
Oxidation_random_feature_open_access
Workflow of AGMP: 1. Preparation. Load the data of training set and test set;. 2. Data processing. The random features for substrates were generated. And […]