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ORCIDBernd Beck
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2020 – today
- 2024
[j16]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)- 2021
- [j15]Jaak Simm, Lina Humbeck, Adam Zalewski, Noé Sturm, Wouter Heyndrickx, Yves Moreau, Bernd Beck, Ansgar Schuffenhauer:
Splitting chemical structure data sets for federated privacy-preserving machine learning. J. Cheminformatics 13(1): 96 (2021) - 2020
- [j14]Arkadii I. Lin, Bernd Beck, Dragos Horvath, Gilles Marcou, Alexandre Varnek:
Diversifying chemical libraries with generative topographic mapping. J. Comput. Aided Mol. Des. 34(7): 805-815 (2020)
2010 – 2019
- 2019
- [j13]Arkadii I. Lin, Dragos Horvath, Gilles Marcou, Bernd Beck, Alexandre Varnek:
Multi-task generative topographic mapping in virtual screening. J. Comput. Aided Mol. Des. 33(3): 331-343 (2019) - 2015
- [j12]Bernd Beck, Daniel Seeliger, Jan M. Kriegl:
The impact of data integrity on decision making in early lead discovery. J. Comput. Aided Mol. Des. 29(9): 911-921 (2015) - 2014
- [j11]Tim Geppert, Bernd Beck:
Fuzzy Matched Pairs: A Means To Determine the Pharmacophore Impact on Molecular Interaction. J. Chem. Inf. Model. 54(4): 1093-1102 (2014) - 2010
- [j10]Christian Kramer, Bernd Beck, Timothy Clark:
Insolubility Classification with Accurate Prediction Probabilities Using a MetaClassifier. J. Chem. Inf. Model. 50(3): 404-414 (2010) - [j9]Christian Kramer, Bernd Beck, Timothy Clark:
A Surface-Integral Model for Log POW. J. Chem. Inf. Model. 50(3): 429-436 (2010)
2000 – 2009
- 2009
- [j8]Christian Kramer, Christofer S. Tautermann, David J. Livingstone, David W. Salt, David C. Whitley, Bernd Beck, Timothy Clark:
Sharpening the Toolbox of Computational Chemistry: A New Approximation of Critical F-Values for Multiple Linear Regression. J. Chem. Inf. Model. 49(1): 28-34 (2009) - 2005
- [j7]Jan M. Kriegl, Thomas Arnhold, Bernd Beck, Thomas Fox:
A support vector machine approach to classify human cytochrome P450 3A4 inhibitors. J. Comput. Aided Mol. Des. 19(3): 189-201 (2005) - 2001
- [j6]Andrew J. Chalk, Bernd Beck, Timothy Clark:
A Quantum Mechanical/Neural Net Model for Boiling Points with Error Estimation. J. Chem. Inf. Comput. Sci. 41(3): 457-462 (2001) - [j5]Andrew J. Chalk, Bernd Beck, Timothy Clark:
A Temperature-Dependent Quantum Mechanical/Neural Net Model for Vapor Pressure. J. Chem. Inf. Comput. Sci. 41(4): 1053-1059 (2001) - 2000
- [j4]Bernd Beck, Andreas Breindl, Timothy Clark:
QM/NN QSPR Models with Error Estimation: Vapor Pressure and LogP. J. Chem. Inf. Comput. Sci. 40(4): 1046-1051 (2000)
1990 – 1999
- 1998
- [j3]Bernd Beck, Anselm H. C. Horn, John E. Carpenter, Timothy Clark:
Enhanced 3D-Databases: A Fully Electrostatic Database of AM1-Optimized Structures. J. Chem. Inf. Comput. Sci. 38(6): 1214-1217 (1998) - 1997
- [j2]Bernd Beck, Timothy Clark, Robert C. Glen:
VESPA: A new, fast approach to electrostatic potential-derived atomic charges from semiempirical methods. J. Comput. Chem. 18(6): 744-756 (1997) - 1994
- [j1]Bernd Beck, Guntram Rauhut, Timothy Clark:
The Natural Atomic Orbital Point Charge Model for PM3: Multipole Moments and Molecular Electrostatic Potentials. J. Comput. Chem. 15(10): 1064-1073 (1994)
Coauthor Index
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