Machine Learned Classification of Ligand Intrinsic Activities at Human mu-Opioid Receptor

Myongin Oh, Maximilian Shen, Ruibin Liu, Lidiya Stavitskaya*, Jana Shen*
ACS Chemical Neuroscience 2024.

Name		Name	Last commit message	Last commit date
README.md		README.md
example_code_chemprop.ipynb		example_code_chemprop.ipynb
external_validation_additional_gnn.csv		external_validation_additional_gnn.csv
external_validation_inxight_gnn.csv		external_validation_inxight_gnn.csv
input_2d_rdkit_descriptors_with_classes_smiles.csv		input_2d_rdkit_descriptors_with_classes_smiles.csv
training_gnn.csv		training_gnn.csv
training_tree.csv		training_tree.csv

Navigation Menu