Variable selection and data pre-processing in NN modelling of complex chemical processes. - Stavros Papadokonstantakis; Stephan Machefer; Klaus Schnitzlein; Argyrios I. Lygeros (Comput. Chem. Eng., 2005)

Comparison of recent methods for inference of variable influence in neural networks. - Stavros Papadokonstantakis; Argyrios I. Lygeros; Sven P. Jacobsson (Neural Networks, 2006)

Investigating the use of path flow indicators as optimization drivers in batch process retrofitting. - A. A. Bumann; Stavros Papadokonstantakis; Ulrich Fischer 002; Konrad Hungerbühler (Comput. Chem. Eng., 2011)

Multi-objective optimization of industrial waste management in chemical sites coupled with heat integration issues. - Elisabet Capón-García; Stavros Papadokonstantakis; Konrad Hungerbühler (Comput. Chem. Eng., 2014)

Data-driven tiered procedure for enhancing yield in drug product manufacturing. - Lukas Gallus Eberle; Hirokazu Sugiyama; Stavros Papadokonstantakis; Andreas Graser; Rainer Schmidt 005; Konrad Hungerbühler (Comput. Chem. Eng., 2016)

Predicting the cradle-to-gate environmental impact of chemicals from molecular descriptors and thermodynamic properties via mixed-integer programming. - Raul Calvo-Serrano; María González-Miquel; Stavros Papadokonstantakis; Gonzalo Guillén-Gosálbez (Comput. Chem. Eng., 2018)

An approach for simultaneous computer-aided molecular design with holistic sustainability assessment: Application to phase-change CO2 capture solvents. - Athanasios I. Papadopoulos; Gulnara Shavalieva; Stavros Papadokonstantakis; Panos Seferlis; Felipe A. Perdomo; Amparo Galindo; George Jackson; Claire S. Adjiman (Comput. Chem. Eng., 2020)

Prior Knowledge for Predictive Modeling: The Case of Acute Aquatic Toxicity. - Gulnara Shavalieva; Stavros Papadokonstantakis; Gregory Peters (J. Chem. Inf. Model., 2022)

Flexibility analysis using boundary functions for considering dependencies in uncertain parameters. - Christian Langner; Elin Svensson; Stavros Papadokonstantakis; Simon Harvey (Comput. Chem. Eng., 2023)