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Journal of Cheminformatics|February 15, 2023
UnCorrupt SMILES: a novel approach to de novo designLinde Schoenmaker, Olivier J M Béquignon, Willem Jespers, et al.International Journal of Pharmaceutics|April 11, 2021
mRNA-lipid nanoparticle COVID-19 vaccines: Structure and stabilityLinde Schoenmaker, Dominik Witzigmann, Jayesh A Kulkarni, et al.Journal of Chemical Information and Modeling|June 30, 2025
Toward Assay-Aware Bioactivity Model(er)s: Getting a Grip on Biological ContextLinde Schoenmaker, Enzo G Sastrokarijo, Laura H Heitman, et al.Journal of Chemical Information and Modeling|June 5, 2023
DrugEx: Deep Learning Models and Tools for Exploration of Drug-Like Chemical SpaceMartin Šícho, Sohvi Luukkonen, Helle W van den Maagdenberg, et al.Chemical Research in Toxicology|April 29, 2026
A Structure-Based Platform for Predicting Chemical-Induced Parkinson's DiseaseLinde Schoenmaker, Emmelie E M van der Veer, Daan A Jiskoot, et al.The Journal of Physical Chemistry. B|February 20, 2025
IMERGE-FEP: Improving Relative Free Energy Calculation Convergence with Chemical IntermediatesLinde Schoenmaker, Daan A Jiskoot, Jenke Scheen, et al.Journal of Cheminformatics|November 15, 2024
QSPRpred: a Flexible Open-Source Quantitative Structure-Property Relationship Modelling ToolHelle W van den Maagdenberg, Martin Šícho, David Alencar Araripe, et al.Pageof 1