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,
• Ismail Erol,
• Kader Şahin,
• Serdar Durdagi

Affiliations

Safa Haddad

Computational Biology and Molecular Simulations Laboratory, Department of Biophysics, School of Medicine, Bahçeşehir University, Istanbul, Turkey

Lalehan Oktay

Computational Biology and Molecular Simulations Laboratory, Department of Biophysics, School of Medicine, Bahçeşehir University, Istanbul, Turkey

Ismail Erol

Computational Biology and Molecular Simulations Laboratory, Department of Biophysics, School of Medicine, Bahçeşehir University, Istanbul, Turkey

Kader Şahin

Department of Analytical Chemistry, School of Pharmacy, Bahçeşehir University, Istanbul, Turkey

Serdar Durdagi

Computational Biology and Molecular Simulations Laboratory, Department of Biophysics, School of Medicine, Bahçeşehir University, Istanbul, Turkey