Modern Hopfield Networks for Few- and Zero-Shot Reaction Prediction. - Philipp Seidl; Philipp Renz; Natalia Dyubankova; Paulo Neves; Jonas Verhoeven; Jörg K. Wegner; Sepp Hochreiter; Günter Klambauer (CoRR, 2021)

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)

Improving Few- and Zero-Shot Reaction Template Prediction Using Modern Hopfield Networks. - Philipp Seidl; Philipp Renz; Natalia Dyubankova; Paulo Neves; Jonas Verhoeven; Jörg K. Wegner; Marwin H. S. Segler; Sepp Hochreiter; Günter Klambauer (J. Chem. Inf. Model., 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)

Global reactivity models are impactful in industrial synthesis applications. - Paulo Neves; Kelly McClure; Jonas Verhoeven; Natalia Dyubankova; Ramil I. Nugmanov; Andrey Gedich; Sairam Menon; Zhicai Shi; Jörg K. Wegner (J. Cheminformatics, 2023)

Correction: Global reactivity models are impactful in industrial synthesis applications. - Paulo Neves; Kelly McClure; Jonas Verhoeven; Natalia Dyubankova; Ramil I. Nugmanov; Andrey Gedich; Sairam Menon; Zhicai Shi; Jörg K. Wegner (J. Cheminformatics, 2023)

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)