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)

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)

Improving route development using convergent retrosynthesis planning. - Paula Torren-Peraire; Jonas Verhoeven; Dorota Herman; Hugo Ceulemans; Igor V. Tetko; Jörg K. Wegner (J. Cheminformatics, 2025)