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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