DrugForm-DTA: Towards real-world drug-target binding affinity model
Ivan Khokhlov, Anna S. Tashchilova, Nikolai Bugaev-Makarovskiy, Olga Valentinovna Glushkova, Vladimir Sergeevich Yudin, Anton Arturovich Keskinov, Sergey Mikhailovich Yudin, Dmitry Vladimirovich Svetlichnyy, Veronika Igorevna Skvortsova · Computational and Structural Biotechnology Journal · 2025
experiment. Also, we compared DrugForm-DTA against molecular modeling methods and revealed higher efficacy of the developed model for drug-target affinity predictions. Our investigation provides a high accuracy neural network model with performance comparable to that of experimental measurements, a filtered.and reassessed BindingDB dataset for further usage, and demonstrates the outstanding applicability of the proposed method for DTA prediction.