BioinformaticsACS OmegaPeer-reviewed
Utilizing Heteroatom Types and Numbers from Extensive Ligand Libraries to Develop Novel hERG Blocker QSAR Models Using Machine Learning-based Classifiers
Safa Haddad, Lalehan Oktay, İsmail Erol…·Serdar Durdağı
This study develops machine learning-based QSAR models to identify key heteroatoms in hERG blockers using ligand libraries and validates findings with molecular docking and simulations.
3 citations