affinity prediction

A Computational Software for Training Robust Drug-Target Affinity Prediction Models: pydebiaseddta

We present a python library to train more generalizable drug-target affinity prediction models.

DebiasedDTA: A Framework for Improving the Generalizability of Drug-Target Affinity Prediction Models

We present a novel training framework to improve the generalizability of drug-target affinity prediction models.

ChemBoost: A chemical language based approach for the prediction of protein - ligand binding affinity

We exploit the chemical language in SMILES and aminoacid sequences to predict drug-target affinity and present state-of-the-art level affinity prediction models.