scientific publications, resources and medias

Explore Our Resources

Browse our extensive collection of publications, articles, and resources to learn more about the work and advancements from Iktos in the field of drug discovery.

Explore Our Resources
Growing and Linking Optimizers: Synthesis-driven Molecule Design

Most recent

Growing and Linking Optimizers: Synthesis-driven Molecule Design

Read09.25.2025

Resources

Publications

Posters

Dive into our comprehensive collection of scientific publications and posters, showcasing our latest research, innovations, and contributions to the field of AI-driven drug discovery.

Growing and Linking Optimizers: Synthesis-driven Molecule Design
2025

Growing and Linking Optimizers: Synthesis-driven Molecule Design

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Preprint: Template-Guided 3D Molecular Pose Generation via Flow Matching and Differentiable Optimization
2025

Preprint: Template-Guided 3D Molecular Pose Generation via Flow Matching and Differentiable Optimization

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Publication: Large Scale Cell Painting Guided Compound Selection Reveals Activity Cliffs and Functional Relationships
2025

Publication: Large Scale Cell Painting Guided Compound Selection Reveals Activity Cliffs and Functional Relationships

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Advances in Computer-Aided Synthesis Planning for Medicinal Chemistry
2023

Advances in Computer-Aided Synthesis Planning for Medicinal Chemistry

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Predicting peptides permeability of complex peptides
2023

Predicting peptides permeability of complex peptides

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DockAI: Efficient Exploration of Ultra-large Chemical Spaces Using Active Learning
2023

DockAI: Efficient Exploration of Ultra-large Chemical Spaces Using Active Learning

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White Papers, Factsheets and Flyers

White paper cover: AI Orchestration in Drug Discovery: from de novo Design to Automated Synthesis

AI Orchestration: from de novo Design to Automated Synthesis

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Success rates virtual DMTA

Success rates with Virtual DMTA cycles

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Webinars & Videos

Makya webinar2

Most recent

Join us for a series of 3 interactive sessions covering key use cases, live in Makya!

Makya webinar2

Join us for a series of 3 interactive sessions covering key use cases, live in Makya!

Robotics webinar Sept 2025

What happens when generative design meets automated synthesis?

Webinar 2025

How well does Generative AI perform under the real-world pressures of drug discovery?

Next Events

Investival Showcase 2025
London, UK | Nov 17

Investival Showcase 2025

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Vienna, Austria | Nov 03-05

BIO Europe 2025

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Basel, Switzerland | Oct 06-08

BiotechX 2025

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Newsletter

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Dr. Avirup Bose has joined the Iktos team as the new Chief Business Officer. Prior to joining Iktos, Avirup was Vice President and Head of Business Development at…Read more
January 2024

Dr. Avirup Bose has joined the Iktos team as the new Chief Business Officer. Prior to joining Iktos, Avirup was Vice President and Head of Business Development at…Read more

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We are thrilled to announce that Iktos has won the “Big Data & AI for Good” prize at the 12th edition of the Big Data & AI Paris Congress on 25th September. We are very honoured …Read more
October 2023

We are thrilled to announce that Iktos has won the “Big Data & AI for Good” prize at the 12th edition of the Big Data & AI Paris Congress on 25th September. We are very honoured …Read more

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Interested in learning about Generative AI for de novo drug design? Iktos hosted a webinar on ‘Where do we start if we don’t have any data? AI for early-stage projects …Read more
July 2023

Interested in learning about Generative AI for de novo drug design? Iktos hosted a webinar on ‘Where do we start if we don’t have any data? AI for early-stage projects …Read more

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