Description
1. Applications of Artificial Intelligence in Drug Design: Opportunities and Challenges Morgan Thomas, Andrew Boardman, Miguel Garcia-Ortegon, Hongbin Yang, Chris de Graaf, and Andreas Bender 2. Machine Learning Applied to the Modeling of Pharmacological and ADMET Endpoints Andreas H. Gller, Lara Kuhnke, Antonius ter Laak, Katharina Meier, and Alexander Hillisch 3. Fighting COVID-19 with Artificial Intelligence Stefania Monteleone, Tahsin F. Kellici, Michelle Southey, Michael J. Bodkin, and Alexander Heifetz 4. Application of Artificial Intelligence and Machine Learning in Drug Discovery Rishi R. Gupta 5. Deep Learning and Computational Chemistry Tim James and Dimitar Hristozov 6. Has Drug Design Augmented by Artificial Intelligence Become a Reality? Atanas Patronov, Kostas Papadopoulos, and Ola Engkvist 7. Network Driven Drug Discovery Jonny Wray and Alan Whitmore 8. Predicting Residence Time of GPCR Ligands with Machine Learning Andrew Potterton, Alexander Heifetz, and Andrea Townsend-Nicholson 9. De Novo Molecular Design with Chemical Language Models Francesca Grisoni and Gisbert Schneider 10. Deep Neural Networks for QSAR Yuting Xu 11. Deep Learning in Structure-Based Drug Design Andrew Anighoro 12. Deep Learning Applied to Ligand-Based De Novo Drug Design Ferruccio Palazzesi and Alfonso Pozzan 13. Ultra-High Throughput Protein-Ligand Docking with Deep Learning Austin Clyde 14. Artificial Intelligence and Quantum Computing as the Next Pharma Disruptors Tnia Cova, Carla Vitorino, Mrcio Ferreira, Sandra Nunes, Paola Rondon-Villarreal, and Alberto Pais 15. Artificial Intelligence in Compound Design Christoph Grebner, Hans Matter, and Gerhard Hessler 16. Artificial Intelligence, Machine Learning, and Deep Learning in Real Life Drug Design Cases Christophe Muller, Obdulia Rabal Gracia, and Constantino Diaz Gonzalez 17. Artificial Intelligence-Enabled De Novo Design of Novel Compounds that are Synthesizable Govinda Bhisetti and Cheng Fang 18. Machine Learning from Omics Data Ren Rex 19. Deep Learning in Therapeutic Antibody Development Jeremy M. Shaver, Joshua Smith, and Tileli Amimeur 20. Machine Learning for In Silico ADMET Prediction Lei Jia and Hua Gao 21. Opportunities and Considerations in the Application of Artificial Intelligence to Pharmacokinetic Prediction Matthew R. Wright 22. Artificial Intelligence in Drug Safety and Metabolism Graham F. Smith 23. Molecule Ideation Using Matched Molecular Pairs Sandeep Pal, Peter Pogny, and James Andrew Lumley
