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Predicting the equivalent alkane carbon number of oils using graph neural networks and quantum mechanical descriptors2025 Computers & Chemical Engineering article Computer Science Computational Drug Discovery Methods Open access
Christoforos Brozos, Jan G. Rittig, Elie Akanny, Philipp Eiden, Alexander Mitsos
1citations -
Predicted Adsorption Affinity for Enteric Microbial Metabolites to Metal and Carbon Nanomaterials2022 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods Open access
Bregje W. Brinkmann, Ankush Singhal, G. J. A. Sevink, Lisette Neeft, Martina G. Vijver, Willie J.G.M. Peijnenburg
7citations
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