Scaling Machine Learning for Target Prediction in Drug Discovery using Apache Spark. - Dries Harnie; Alexander E. Vapirev; Jörg Kurt Wegner; Andrey Gedich; Marvin N. Steijaert; Roel Wuyts; Wolfgang De Meuter (CCGRID, 2015)

Scaling machine learning for target prediction in drug discovery using Apache Spark. - Dries Harnie; Mathijs Saey; Alexander E. Vapirev; Jörg Kurt Wegner; Andrey Gedich; Marvin N. Steijaert; Hugo Ceulemans; Roel Wuyts; Wolfgang De Meuter (Future Gener. Comput. Syst., 2017)

Bidirectional Graphormer for Reactivity Understanding: Neural Network Trained to Reaction Atom-to-Atom Mapping Task. - Ramil I. Nugmanov; Natalia Dyubankova; Andrey Gedich; Jörg Kurt Wegner (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)