Sohvi Luukkonen

12 papers A* 1Journal 11

Year	Rank	Type	Title / Venue / Authors
2026	J	`jnl`	Contrastive Geometric Learning Unlocks Unified Structure- and Ligand-Based Drug Design. CoRR Lisa Schneckenreiter, Sohvi Luukkonen, Lukas Friedrich, Daniel Kuhn, Günter Klambauer
2026	J	`jnl`	MolecularIQ: Characterizing Chemical Reasoning Capabilities Through Symbolic Verification on Molecular Graphs. CoRR Christoph Bartmann, Johannes Schimunek, Mykyta Ielanskyi, Philipp Seidl, Günter Klambauer, Sohvi Luukkonen
2025	A*	`conf`	Bio-xLSTM: Generative modeling, representation and in-context learning of biological and chemical sequences. ICLR Niklas Schmidinger, Lisa Schneckenreiter, Philipp Seidl, Johannes Schimunek, Pieter-Jan Hoedt, Johannes Brandstetter, Andreas Mayr, Sohvi Luukkonen, Sepp Hochreiter, Günter Klambauer
2025	J	`jnl`	Generate what you can make: achieving in-house synthesizability with readily available resources in de novo drug design. J. Cheminformatics Alan Kai Hassen, Martin Sícho, Yorick J. van Aalst, Mirjam C. W. Huizenga, Darcy N. R. Reynolds, Sohvi Luukkonen, Andrius Bernatavicius, Djork-Arné Clevert, Antonius P. A. Janssen, Gerard J. P. van Westen, Mike Preuss
2025	J	`jnl`	MHNfs: Prompting In-Context Bioactivity Predictions for Low-Data Drug Discovery. J. Chem. Inf. Model. Johannes Schimunek, Sohvi Luukkonen, Günter Klambauer
2025	J	`jnl`	Measuring AI Progress in Drug Discovery: A Reproducible Leaderboard for the Tox21 Challenge. CoRR Antonia Ebner, Christoph Bartmann, Sonja Topf, Sohvi Luukkonen, Johannes Schimunek, Günter Klambauer
2024	J	`jnl`	Bio-xLSTM: Generative modeling, representation and in-context learning of biological and chemical sequences. CoRR Niklas Schmidinger, Lisa Schneckenreiter, Philipp Seidl, Johannes Schimunek, Pieter-Jan Hoedt, Johannes Brandstetter, Andreas Mayr, Sohvi Luukkonen, Sepp Hochreiter, Günter Klambauer
2024	J	`jnl`	Diverse Hits in De Novo Molecule Design: Diversity-Based Comparison of Goal-Directed Generators. J. Chem. Inf. Model. Philipp Renz, Sohvi Luukkonen, Günter Klambauer
2024	J	`jnl`	QSPRpred: a Flexible Open-Source Quantitative Structure-Property Relationship Modelling Tool. J. Cheminformatics Helle W. van den Maagdenberg, Martin Sícho, David Alencar Araripe, Sohvi Luukkonen, Linde Schoenmaker, Michiel Jespers, Olivier J. M. Béquignon, Marina Gorostiola González, Remco L. van den Broek, Andrius Bernatavicius, J. G. Coen van Hasselt, Piet H. Van Der Graaf, Gerard J. P. van Westen
2023	J	`jnl`	DrugEx: Deep Learning Models and Tools for Exploration of Drug-Like Chemical Space. J. Chem. Inf. Model. Martin Sícho, Sohvi Luukkonen, Helle W. van den Maagdenberg, Linde Schoenmaker, Olivier J. M. Béquignon, Gerard J. P. van Westen
2023	J	`jnl`	Large-Scale Modeling of Sparse Protein Kinase Activity Data. J. Chem. Inf. Model. Sohvi Luukkonen, Erik Meijer, Giovanni Tricarico, Johan Hofmans, Pieter F. W. Stouten, Gerard J. P. van Westen, Eelke B. Lenselink
2020	J	`jnl`	Predicting Hydration Free Energies of the FreeSolv Database of Drug-like Molecules with Molecular Density Functional Theory. J. Chem. Inf. Model. Sohvi Luukkonen, Luc Belloni, Daniel Borgis, Maximilien Levesque