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)

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)

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)

Gradient Guided Hypotheses: A unified solution to enable machine learning models on scarce and noisy data regimes. - Paulo Neves; Jörg K. Wegner; Philippe Schwaller (CoRR, 2024)