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)