Mind the Retrosynthesis Gap: Bridging the divide between Single-step and Multi-step Retrosynthesis Prediction. - Alan Kai Hassen; Paula Torren-Peraire; Samuel Genheden; Jonas Verhoeven; Mike Preuss; Igor V. Tetko (CoRR, 2022)

Models Matter: The Impact of Single-Step Retrosynthesis on Synthesis Planning. - Paula Torren-Peraire; Alan Kai Hassen; Samuel Genheden; Jonas Verhoeven; Djork-Arné Clevert; Mike Preuss; Igor V. Tetko (CoRR, 2023)

AlphaFold Meets De Novo Drug Design: Leveraging Structural Protein Information in Multitarget Molecular Generative Models. - Andrius Bernatavicius; Martin Sícho; Antonius P. A. Janssen; Alan Kai Hassen; Mike Preuss; Gerard J. P. van Westen (J. Chem. Inf. Model., 2024)

AiZynthFinder 4.0: developments based on learnings from 3 years of industrial application. - Lakshidaa Saigiridharan; Alan Kai Hassen; Helen Lai; Paula Torren-Peraire; Ola Engkvist; Samuel Genheden (J. Cheminformatics, 2024)

Generate what you can make: achieving in-house synthesizability with readily available resources in de novo drug design. - Alan Kai Hassen; Martin Sícho; Yorick J. van Aalst; Mirjam C. W. Huizenga; Darcy N. R. Reynolds; Sohvi Luukkonen; Andrius Bernatavicius; Djork-Arné Clevert; Antonius P. A. Janssen; Gerard J. P. van Westen; Mike Preuss (J. Cheminformatics, 2025)