Artificial Intelligence in Drug Design

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

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

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