Conformation-Dependent QSPR Models: logPOW. - Markus Muehlbacher; Ahmed M. El Kerdawy; Christian Kramer; Brian Hudson; Timothy Clark (J. Chem. Inf. Model., 2011)

Predicting the Sites and Energies of Noncovalent Intermolecular Interactions Using Local Properties. - Ahmed M. El Kerdawy; Christian R. Wick; Matthias Hennemann; Timothy Clark (J. Chem. Inf. Model., 2012)

Quantum Mechanics-Based Properties for 3D-QSAR. - Ahmed M. El Kerdawy; Stefan Güssregen; Hans Matter; Matthias Hennemann; Timothy Clark (J. Chem. Inf. Model., 2013)

Economical and Accurate Protocol for Calculating Hydrogen-Bond-Acceptor Strengths. - Ahmed M. El Kerdawy; Christofer S. Tautermann; Timothy Clark; Thomas Fox (J. Chem. Inf. Model., 2013)

Quantum-mechanics-based molecular interaction fields for 3D-QSAR. - Ahmed M. El Kerdawy; Stefan Güssregen; Hans Matter; Matthias Hennemann; Timothy Clark (J. Cheminformatics, 2014)

Multimodal Transformer-based Model for Buchwald-Hartwig and Suzuki-Miyaura Reaction Yield Prediction. - Shimaa Baraka; Ahmed M. El Kerdawy (CoRR, 2022)

A New Graph-Based Reinforcement Learning Environment for Targeted Molecular Generation and Optimization✱. - Amgad Abdallah Mahmoud; Nada Adel Alyan; Ahmed Elkerdawy; Shihori Tanabe; Frédéric Andrès; Andreas Pester; Hesham Ali 001 (ICSIE, 2023)

Geom-SAC: Geometric Multi-Discrete Soft Actor Critic With Applications in De Novo Drug Design. - Amgad Abdallah Mahmoud; Nada Adel Alyan; Ahmed Elkerdawy; Shihori Tanabe; Frédéric Andrès; Andreas Pester; Hesham H. Ali (IEEE Access, 2024)