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Accompanying data - UnCorrupt SMILES: a novel approach to de novo design2022 Zenodo (CERN European Organization for Nuclear Research) dataset Computer Science Computational Drug Discovery Methods Open access
Linde Schoenmaker, Olivier J.M. Béquignong, Willem Jespers, Gerard J. P. van Westen
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Supplementary files to "Finding the Right TEMPO: Multi-Objective Virtual Screening and Experimental Validation of TEMPO Derivatives for Aqueous Redox Flow Battery Catholytes"2026 Zenodo (CERN European Organization for Nuclear Research) supplementary-materials Engineering Advanced battery technologies research Open access
Daniel Willimetz, Žak Ruben Šinkovec, Jan Hamaekers, Alexei A. Lapkin, Abhishek Khetan
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Supplementary files to "Finding the Right TEMPO: Multi-Objective Virtual Screening and Experimental Validation of TEMPO Derivatives for Aqueous Redox Flow Battery Catholytes"2026 Zenodo (CERN European Organization for Nuclear Research) supplementary-materials Engineering Advanced battery technologies research Open access
Daniel Willimetz, Žak Ruben Šinkovec, Jan Hamaekers, Alexei A. Lapkin, Abhishek Khetan
0citations -
Zero-Shot Metabolite Prediction from Gene Expression via Physics-Informed Graph Neural Networks2026 bioRxiv (Cold Spring Harbor Laboratory) preprint Biochemistry, Genetics and Molecular Biology Bioinformatics and Genomic Networks Open access
Claudio Novella-Rausell, Ton J. Rabelink, Ahmed Essam Mahfouz
0citations -
Accompanying data - UnCorrupt SMILES: a novel approach to de novo design2022 Zenodo (CERN European Organization for Nuclear Research) dataset Computer Science Computational Drug Discovery Methods Open access
Linde Schoenmaker, Olivier J.M. Béquignong, Willem Jespers, Gerard J. P. van Westen
0citations