Iktos First Annual Conferece 2021

The first annual Iktos conference ‘AI for de novo drug design’ scheduled on June 8 and 9, 2021 aimed to bring together leading scientists and researchers from industry and academia around the globe, to share their experiences, research, and perspectives about all aspects of Artificial Intelligence (AI) in drug design and retrosynthesis.
The inaugural conference was a great success with more than 650 registered attendees and over 400 actual participants, 20 presentations from invited and Iktos speakers, and 10 Tech Xchange sessions from Iktos partners.
We are pleased to launch the Iktos conference webpage where the registered users can access the recordings of the presentations and Tech Xchange sessions. Some of the talks with industry and academia thought leaders from around the world here:
- Dr. Marwin Segler, Senior Researcher, Team Lead, Microsoft
- Dr. Daniel Kuhn, Associate Director, Head of AI and New Technologies, Merck KGgA
- Dr. Darren Green, Director of Molecular Design & Senior Fellow at GlaxoSmithKline
- Dr. Pat Walters, Senior Vice President Computation, Relay Therapeutics
- Prof. Connor Coley, Assistant Professor, MIT
- Dr. Shinichiro Wachi, Principal Scientist, Alkermes
- Dr. Alpha Lee, Co-Founder & Chief Scientific Officer, PostEra
- Dr. Yurii Moroz, Chief Executive Officer, ChemSpace
Agenda
8 June
Welcome remarks & introduction

Yann Gaston-Mathé
Chief Executive Officer & Co-founder, Iktos
Keynote presentation – Machine Learning around the Design-Make-Test Cycle

Marwin Segler
Senior Researcher, Team Lead, Microsoft
Combination is key – ML/AI applications in early drug discovery and their impact

Daniel Kuhn
Head of AI and New Technologies, Merck Healthcare KGaA
Predictors Hacking During Generation

Joseph-André Turk
Data Scientist, Iktos
Predictors Hacking During Generation

Philippe Gendreau
Data Scientist, Iktos
Spaya workshop
Learn more about Spaya, the Iktos AI-based retrosynthesis platform

Brian Atwood
Applications Scientist, Iktos
Makya workshop
Learn more about Makya, the Iktos AI-based solution for de novo drug design and multi-parametric optimisation

Rohit Arora
Applications Scientist, Iktos
COVID Moonshot – Open science discovery of SARS-CoV-2 Mpro inhibitors with machine learning

Alpha Lee
Chief Scientific Officer & Co-founder, PostEra
Applications of data science and AI in drug discovery – an industry outlook

Darren Green
Director of Molecular Design & Senior Fellow, GlaxoSmithKline
ARDA-API Predictor: Extending the pyMakya Generative Modelling Toolset

Shinichiro Wachi
Principal Scientist, Alkermes
Structure-guided de novo drug design using deep generative modeling, a case study

Yann Lamotte
Team Leader, Medicinal Chemist, Oncodesign
Structure-guided de novo drug design using deep generative modeling, a case study

Brice Hoffmann
Principal Scientist, Group Leader, Computational Chemistry, Iktos
9 June
Welcome remarks & introduction

Alessandro Monge
Senior Vice President, Head of US Operations and Business Development, Iktos
Generative AI, a long journey…

Quentin Perron
Chief Scientific Officer & Co-founder, Iktos
Challenges and Opportunities for AI in Drug Discovery

Pat Walters
Senior Vice President Computation, Relay Therapeutics
Spaya & Makya workshop
Learn more about Spaya, the Iktos AI-based retrosynthesis platform, and Makya, the Iktos AI-based solution for de novo drug design and multi-parametric optimisation

Brian Atwood
Applications Scientist, Iktos
Retrosynthetic analysis using Chemspace chemistry

Yurii Moroz
Chief Executive Officer, ChemSpace
Retrosynthetic analysis using Chemspace chemistry

Hamza Tajmouati
Principal Scientist, Group Leader, AI, Iktos
Data-driven synthesis planning beyond retrosynthesis

Connor Coley
Assistant Professor, Department of Chemical Engineering, MIT
AI-driven Drug Discovery in the Cloud – An AWS Perspective

Wajahat Aziz
Global ML/HPC Research Solutions Architect, Amazon Web Services
Closing remarks

Yann Gaston-Mathé
Chief Executive Officer & Co-founder, Iktos
Tech Xchange Presentations
Discover and learn from Iktos’s partners offers in drug discovery – 10 minutes lighting talks and Q&As
- Session 1:
- Molport – Imants Zudans, Chief Executive Officer
- Optibrium – Matt Segall, Chief Executive Officer
- Qubit pharmaceuticals – Davide Sabbadin, Head of Drug Discovery and Applications presso
- Session 2:
- Simulation Plus – Eric Jamois, Director of Business development
- Nanome – Steve McCloskey, Chief Executive Officer & Co-Founder
- Session 3:
- Key Organics – Steve Brough, Sales Manager
- Chemaxon – Nora Lapusnyik, Partner Relationship Manager
- Mcule – Greg Prikler, Director of BD and Solutions Engineering
- Session 4:
- Spirochem – Thomas Fessard, Chief Executive Officer
- OpenEye Scientific – Varsha Jain, Application Scientist