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Lukas Friedrich
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2020 – today
- 2024
- [j5]Andrew Rusinko III, Mohammad A. Rezaei, Lukas Friedrich, Hans-Peter Buchstaller, Daniel Kuhn, Ashwini Ghogare:
AIDDISON: Empowering Drug Discovery with AI/ML and CADD Tools in a Secure, Web-Based SaaS Platform. J. Chem. Inf. Model. 64(1): 3-8 (2024) - [j4]Wouter Heyndrickx, Lewis H. Mervin, Tobias Morawietz, Noé Sturm, Lukas Friedrich, Adam Zalewski, Anastasia Pentina, Lina Humbeck, Martijn Oldenhof, Ritsuya Niwayama, Peter Schmidtke, Nikolas Fechner, Jaak Simm, Adam Arany, Nicolas Drizard, Rama Jabal, Arina Afanasyeva, Regis Loeb, Shlok Verma, Simon Harnqvist, Matthew Holmes, Balazs Pejo, Maria Telenczuk, Nicholas Holway, Arne Dieckmann, Nicola Rieke, Friederike Zumsande, Djork-Arné Clevert, Michael Krug, Christopher N. Luscombe, Darren V. S. Green, Peter Ertl, Peter Antal, David Marcus, Nicolas Do Huu, Hideyoshi Fuji, Stephen D. Pickett, Gergely Ács, Eric Boniface, Bernd Beck, Yax Sun, Arnaud Gohier, Friedrich Rippmann, Ola Engkvist, Andreas H. Göller, Yves Moreau, Mathieu N. Galtier, Ansgar Schuffenhauer, Hugo Ceulemans:
MELLODDY: Cross-pharma Federated Learning at Unprecedented Scale Unlocks Benefits in QSAR without Compromising Proprietary Information. J. Chem. Inf. Model. 64(7): 2331-2344 (2024) - 2023
- [j3]Davide Boldini, Francesca Grisoni, Daniel Kuhn, Lukas Friedrich, Stephan A. Sieber:
Practical guidelines for the use of gradient boosting for molecular property prediction. J. Cheminformatics 15(1): 73 (2023) - [c2]Martijn Oldenhof, Gergely Ács, Balázs Pejó, Ansgar Schuffenhauer, Nicholas Holway, Noé Sturm, Arne Dieckmann, Oliver Fortmeier, Eric Boniface, Clément Mayer, Arnaud Gohier, Peter Schmidtke, Ritsuya Niwayama, Dieter Kopecky, Lewis H. Mervin, Prakash Chandra Rathi, Lukas Friedrich, András Formanek, Peter Antal, Jordon Rahaman, Adam Zalewski, Wouter Heyndrickx, Ezron Oluoch, Manuel Stößel, Michal Vanco, David Endico, Fabien Gelus, Thaïs de Boisfossé, Adrien Darbier, Ashley Nicollet, Matthieu Blottière, Maria Telenczuk, Van Tien Nguyen, Thibaud Martinez, Camille Boillet, Kelvin Moutet, Alexandre Picosson, Aurélien Gasser, Inal Djafar, Antoine Simon, Adam Arany, Jaak Simm, Yves Moreau, Ola Engkvist, Hugo Ceulemans, Camille Marini, Mathieu Galtier:
Industry-Scale Orchestrated Federated Learning for Drug Discovery. AAAI 2023: 15576-15584 - [c1]Johannes Schimunek, Philipp Seidl, Lukas Friedrich, Daniel Kuhn, Friedrich Rippmann, Sepp Hochreiter, Günter Klambauer:
Context-enriched molecule representations improve few-shot drug discovery. ICLR 2023 - [i2]Johannes Schimunek, Philipp Seidl, Lukas Friedrich, Daniel Kuhn, Friedrich Rippmann, Sepp Hochreiter, Günter Klambauer:
Context-enriched molecule representations improve few-shot drug discovery. CoRR abs/2305.09481 (2023) - 2022
- [j2]Davide Boldini, Lukas Friedrich, Daniel Kuhn, Stephan A. Sieber:
Tuning gradient boosting for imbalanced bioassay modelling with custom loss functions. J. Cheminformatics 14(1): 80 (2022) - [i1]Martijn Oldenhof, Gergely Ács, Balázs Pejó, Ansgar Schuffenhauer, Nicholas Holway, Noé Sturm, Arne Dieckmann, Oliver Fortmeier, Eric Boniface, Clément Mayer, Arnaud Gohier, Peter Schmidtke, Ritsuya Niwayama, Dieter Kopecky, Lewis H. Mervin, Prakash Chandra Rathi, Lukas Friedrich, András Formanek, Peter Antal, Jordon Rahaman, Adam Zalewski, Ezron Oluoch, Manuel Stößel, Michal Vanco, David Endico, Fabien Gelus, Thaïs de Boisfossé, Adrien Darbier, Ashley Nicollet, Matthieu Blottière, Maria Telenczuk, Van Tien Nguyen, Thibaud Martinez, Camille Boillet, Kelvin Moutet, Alexandre Picosson, Aurélien Gasser, Inal Djafar, Adam Arany, Jaak Simm, Yves Moreau, Ola Engkvist, Hugo Ceulemans, Camille Marini, Mathieu Galtier:
Industry-Scale Orchestrated Federated Learning for Drug Discovery. CoRR abs/2210.08871 (2022) - 2020
- [j1]Michael Moret, Lukas Friedrich, Francesca Grisoni, Daniel Merk, Gisbert Schneider:
Generative molecular design in low data regimes. Nat. Mach. Intell. 2(3): 171-180 (2020)
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