Sonhyojin

Hello, thank you for your nice package. I want to generate PubChem fingerprint which is 881 length binary bit vector (PubChem fingerprint description: https://ftp.ncbi.nlm.nih.gov/pubchem/specifications/pubchem_fingerprints.pdf) Looking at the folder below in...

DeepAffinity ID and Public ID Mapping Table

4

Thanks for your great packages. I want to get mapping table (DeepAffinity ID to public ID) for Protein and Drug each. (For interpreting DeepAffinity output.) e.g. For Protein (Map to...

Bioactivity threshold for druggability.

1

Hello I have a question about IC50, EC50, Ki, Kd threshold for druggability. I should decide potency for drug using IC50, EC50, Ki, Kd threshold based on ChEMBL bioactivity data....

Hello, thanks for sharing nice packages. I would like to train the model on proteins other than the ones you used, and I think I'll need to prepare data like...