Bernd Beck

According to our database, Bernd Beck authored at least 16 papers between 1994 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2024

MELLODDY: Cross-pharma Federated Learning at Unprecedented Scale Unlocks Benefits in QSAR without Compromising Proprietary Information.

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

J. Chem. Inf. Model., 2024

2021

Splitting chemical structure data sets for federated privacy-preserving machine learning.

Jaak Simm, Lina Humbeck, Adam Zalewski, Noé Sturm, Wouter Heyndrickx, Yves Moreau, Bernd Beck, Ansgar Schuffenhauer

J. Cheminformatics, 2021

2020

Diversifying chemical libraries with generative topographic mapping.

Arkadii I. Lin, Bernd Beck, Dragos Horvath, Gilles Marcou, Alexandre Varnek

J. Comput. Aided Mol. Des., 2020

2019

Multi-task generative topographic mapping in virtual screening.

Arkadii I. Lin, Dragos Horvath, Gilles Marcou, Bernd Beck, Alexandre Varnek

J. Comput. Aided Mol. Des., 2019

2015

The impact of data integrity on decision making in early lead discovery.

Bernd Beck, Daniel Seeliger, Jan M. Kriegl

J. Comput. Aided Mol. Des., 2015

2014

Fuzzy Matched Pairs: A Means To Determine the Pharmacophore Impact on Molecular Interaction.

Tim Geppert, Bernd Beck

J. Chem. Inf. Model., 2014

2010

A Surface-Integral Model for Log <i>P</i>_OW.

Christian Kramer, Bernd Beck, Timothy Clark

J. Chem. Inf. Model., 2010

Insolubility Classification with Accurate Prediction Probabilities Using a MetaClassifier.

Christian Kramer, Bernd Beck, Timothy Clark

J. Chem. Inf. Model., 2010

2009

Sharpening the Toolbox of Computational Chemistry: A New Approximation of Critical <i>F</i>-Values for Multiple Linear Regression.

Christian Kramer, Christofer S. Tautermann, David J. Livingstone, David W. Salt, David C. Whitley, Bernd Beck, Timothy Clark

J. Chem. Inf. Model., 2009

2005

A support vector machine approach to classify human cytochrome P450 3A4 inhibitors.

Jan M. Kriegl, Thomas Arnhold, Bernd Beck, Thomas Fox

J. Comput. Aided Mol. Des., 2005

2001

A Temperature-Dependent Quantum Mechanical/Neural Net Model for Vapor Pressure.

Andrew J. Chalk, Bernd Beck, Timothy Clark

J. Chem. Inf. Comput. Sci., 2001

A Quantum Mechanical/Neural Net Model for Boiling Points with Error Estimation.

Andrew J. Chalk, Bernd Beck, Timothy Clark

J. Chem. Inf. Comput. Sci., 2001

2000

QM/NN QSPR Models with Error Estimation: Vapor Pressure and LogP.

Bernd Beck, Andreas Breindl, Timothy Clark

J. Chem. Inf. Comput. Sci., 2000

1998

Enhanced 3D-Databases: A Fully Electrostatic Database of AM1-Optimized Structures.

Bernd Beck, Anselm H. C. Horn, John E. Carpenter, Timothy Clark

J. Chem. Inf. Comput. Sci., 1998

1997

VESPA: A new, fast approach to electrostatic potential-derived atomic charges from semiempirical methods.

Bernd Beck, Timothy Clark, Robert C. Glen

J. Comput. Chem., 1997

1994

The Natural Atomic Orbital Point Charge Model for PM3: Multipole Moments and Molecular Electrostatic Potentials.

Bernd Beck, Guntram Rauhut, Timothy Clark

J. Comput. Chem., 1994