Iktos Second Annual Conference 2022

The second annual Iktos conference ‘AI for de novo drug design’ scheduled on May 3 and 4, 2022 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 conference was a great success with more than 600 global attendees, around 20 presentations from external and Iktos speakers, and 7 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. Connor Coley, Henri Slezynger Career Development, Assistant Professor of Chemical Engineering & Assistant Professor of Electrical Engineering and Computer Science – MIT (keynote)
- Dr. Ola Engkvist, Senior Director, Astra Zeneca
- Dr. Abhinav Kumar, Head of Strategy and Business Development, Reaxys Chemistry Solutions, Elsevier
- Dr. Woody Sherman, Chief Computational Scientist, Roivant
- Mr. Maxime Langevin, Associate Scientist, Sanofi
- Dr. John Wai, Vice President, WuXi AppTec
- Dr. Pieter Stouten, Director Computational Technologies, Galapagos
- Prof. Jean-Philip Piquemal, CSO at Qubit Pharmaceuticals and Professor at Sorbonne Université
- Dr. Hideyoshi Fuji, CEO & Founder, ChemoInfo Co
- Dr. Didier Rognan, Director of the Laboratory for Therapeutic Innovation, University of Strasbourg
- Ms. Anouk Huyghebaert, Intern at UCB
The event was moderated by Dr. Sree Vadlamudi, Vice President, Head of Business Development EU, RoW at Iktos.
Agenda
3 May
Welcome remarks & introduction

Yann Gaston-Mathé
Chief Executive Officer & Co-founder, Iktos
Keynote presentation – Predictive chemistry as an enabling tool for computer-aided molecular design

Connor Coley
Henri Slezynger Career Development, Assistant Professor, MIT
Increasing accuracy in molecular simulations: converging AI and physics-based approaches

Jean-Philip Piquemal
CSO, Quibit Pharmaceuticals and Professor at Sorbonne Université
AI for Molecular Design, Past, Present & Future

Ola Engkvistk
Senior Director, Head Molecular AI – AstraZeneca
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

Philippe Gendreau
Data Scientist, Iktos
On the frustration to predict binding affinities from protein-ligand structures with deep neural networks

Didier Rognan
Director of the Laboratory for Therapeutic Innovation – University of Strasbourg
Evaluation of retrosynthetic tools

Anouk Huyghebaert
Intern, UCB
Federated Learning in Drug Discovery

Hideyoshi Fuji
Chief Executive Officer & Founder, Chemoinfo
From Chip to Clinic: Design of a Small Molecule STING Agonist using Physics-based Simulations and AI

Woody Sherman
Chief Computational Scientist, Roivant Sciences & CEO, D2B
4 May
Welcome remarks & introduction

Alessandro Monge
Senior Vice President, Head of US Operations and Business Development, Iktos
Keynote presentation: Applications of Compound Generation under Synthetic Constraint: form hit to lead

Quentin Perron
Chief Scientific Officer & Co-founder, Iktos
Predicting the price of molecules using their synthetic pathwaysfor AI in Drug Discovery

Data Scientist, Iktos
Multitask ADME models for Augmented Drug Design

Director Computational Technologies – Galapagos
Predictive Retrosynthesis: Development, use and adoption by chemists

Abhinav Kumar
Head of Strategy and Business Development, Reaxys Chemistry Solutions – Elsevier
Exploring pitfalls of AI-driven molecular design

Maxime Langevin
CIFRE Associate Scientist, Sanofi & Ph.D. candidate, Ecole Normale Supérieure
Integrating Practical ML and QM tools to Synthesis in Medicinal Chemistry

John Wai
Vice President – WuXi AppTec
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:
- Optibrium – Matthew Segall, Chief Executive Officer
- Oncodesign Service Business Unit – Emily Fang, Deputy Director of Business Development
- Session 2:
- Nanome – Jonathon Gast, Senior Application Scientist
- Session 3:
- CDD Vault – Alex Clark, Research Scientist
- Chemspeed – Lieven Gevers, Workflow Architect
- Session 4:
- Simulations Plus – Eric Jamois, Director, Key Accounts & Strategic Alliance
- Elsevier – Markus Fischer, Product Manager, Technical Integration