Journal Publications

Amberg A, Anger LT, Bercu J, Bower D, Cross KP, Custer L, Harvey JS, Hasselgren C, Honma M, Johnson C, Jolly R, Kenyon MO, Kruhlak NL, Leavitt P, Quigley DP, Miller S, Snodin D, Stavitskaya L, Teasdale A, Trejo-Martin A, White AT, Wichard J, Myatt GJ.
Extending (Q)SARs to incorporate proprietary knowledge for regulatory purposes: is aromatic N-oxide a structural alert for predicting DNA-reactive mutagenicity?
Mutagenesis, 2018. doi: 10.1093/mutage/gey020

Myatt GJ, Ahlberg E, Akahori Y, Allen D, Amberg A, Anger LT, Aptula A, Auerbach S, Beilke L, Bellion P, Benigni R, Bercu J, Booth ED, Bower D, Brigo A, Burden N, Cammerer Z, Cronin MTD, Cross KP, Custer L, Dettwiler M, Dobo K, Ford KA, Fortin MC, Gad-McDonald SE, Gellatly N, Gervais V, Glover KP, Glowienke S, Van Gompel J, Gutsell S, Hardy B, Harvey JS, Hillegass J, Honma M, Hsieh JH, Hsu CW, Hughes K, Johnson C, Jolly R, Jones D, Kemper R, Kenyon MO, Kim MT, Kruhlak NL, Kulkarni SA, Kümmerer K, Leavitt P, Majer B, Masten S, Miller S, Moser J, Mumtaz M, Muster W, Neilson L, Oprea TI, Patlewicz G, Paulino A, Lo Piparo E, Powley M, Quigley DP, Reddy MV, Richarz AN, Ruiz P, Schilter B, Serafimova R, Simpson W, Stavitskaya L, Stidl R, Suarez-Rodriguez D, Szabo DT, Teasdale A, Trejo-Martin A, Valentin JP, Vuorinen A, Wall BA, Watts P, White AT, Wichard J, Witt KL, Woolley A, Woolley D, Zwickl C, Hasselgren C.
In silico toxicology protocols.
Regul Toxicol Pharmacol. 2018 Jul;96:1-17.

Lang, A., Volkamer, A., Behm, L., Röblitz, S., Ehrig, R., Schneider, M., Geris, L., Wichard, J. and Buttgereit F.
In silico methods – Computational alternatives to animal testing
ALTEX - Alternatives to animal experimentation. 35, 1 (Jan. 2018), 126-128.

Ferran Sanz, François Pognan, Thomas Steger-Hartmann, Carlos Díaz, Montserrat Cases, Manuel Pastor, Philippe Marc, Joerg Wichard, Katharine Briggs, David K. Watson, Thomas Kleinöder, Chihae Yang, Alexander Amberg, Maria Beaumont, Anthony J. Brookes, Søren Brunak, Mark T. D. Cronin, Gerhard F. Ecker, Sylvia Escher, Nigel Greene, Antonio Guzmán, Anne Hersey, Pascale Jacques, Lieve Lammens, Jordi Mestres, Wolfgang Muster, Helle Northeved, Marc Pinches, Javier Saiz, Nicolas Sajot, Alfonso Valencia, Johan van der Lei, Nico P. E. Vermeulen, Esther Vock, Gerhard Wolber & Ismael Zamora
Legacy data sharing to improve drug safety assessment: the eTOX project
Nature Reviews Drug Discovery 16, 811–812, 2017.

Joerg Wichard
In silico prediction of genotoxicity
Food and Chemical Toxicology, 2017.

van Dijk M., Ter Laak A.M., Wichard J.D., Capoferri L., Vermeulen N., Geerke D.
Comprehensive and Automated Linear Interaction Energy Based Binding-Affinity Prediction for Multifarious Cytochrome P450 Aromatase Inhibitors.
J Chem Inf Model. 2017 Sep 25;57(9):2294-2308.

Alexander Amberg, Lisa Beilke, Joel Bercu, Dave Bowerd, Alessandro Brigo, Kevin P. Cross, Laura Custer, Krista Dobo, Eric Dowdy, Kevin A. Ford, Susanne Glowienke, Jacky Van Gompel, James Harvey, Catrin Hasselgren, Masamitsu Honma, Robert Jolly, Raymond Kemper, Michelle Kenyon, Naomi Kruhlak, Penny Leavitt, Scott Miller, Wolfgang Muster, John Nicolette, Andreja Plaper, Mark Powley, Donald P. Quigley, M. Vijayaraj Reddy, Hans-Peter Spirkl, Lidiya Stavitskaya, Andrew Teasdale, Sandy Weiner, Dennie S. Welch, Angela White, Joerg Wichard, Glenn J. Myatt,
Principles and procedures for implementation of ICH M7 recommended (Q)SAR analyses
Regulatory Toxicology and Pharmacology, Volume 77, June 2016, Pages 13–24.

Ernst Ahlberg, Alexander Amberg, Lisa D. Beilke, David Bower, Kevin P. Cross, Laura Custer, Kevin A. Ford, Jacky Van Gompel, James Harvey, Masamitsu Honma, Robert Jolly, Elisabeth Joossens, Raymond A. Kemper, Michelle Kenyon, Naomi Kruhlak, Lara Kuhnke, Penny Leavitt, Russell Naven, 1, Claire Neilan, 2, Donald P. Quigley, Dana Shuey, Hans-Peter Spirkl, Lidiya Stavitskaya, Andrew Teasdale, Angela White, Joerg Wichard, Craig Zwickl, Glenn J. Myatt
Extending (Q)SARs to incorporate proprietary knowledge for regulatory purposes: A case study using aromatic amine mutagenicity
Regulatory Toxicology and Pharmacology, Volume 77, June 2016, Pages 1–12.

Williams RV, Amberg A, Brigo A, Coquin L, Giddings A, Glowienke S, Greene N, Jolly R, Kemper R, O'Leary-Steele C, Parenty A, Spirkl HP, Stalford SA, Weiner SK, Wichard J.
It's difficult, but important, to make negative predictions.
Regul Toxicol Pharmacol. 2016 Apr;76:79-86.

Chris Barber, Alexander Amberg, Laura Custer, Krista L. Dobo, Susanne Glowienke, Jacky Van Gompel, Steve Gutsell, Jim Harvey, Masamitsu Honma, Michelle O. Kenyon, Naomi Kruhlak, Wolfgang Muster, Lidiya Stavitskay, Andrew Teasdale, Jonathan Vessey, Joerg Wichard
Establishing best practise in the application of expert review of mutagenicity under ICH M7
Regulatory Toxicology and Pharmacology, Volume 73, Issue 1, October 2015, Pages 367–377.

Nigel Greene; Krista L Dobo; Michelle O Kenyon; Jennifer Cheung; Jennifer Munzner; Zhanna Sobol; Gregory Sluggett; Todd Zelesky; Andreas Sutter; Joerg Wichard
A Practical Application of Two In Silico Systems for Identification of Potentially Mutagenic Impurities
Regulatory Toxicology and Pharmacology, Volume 72, Issue 2, July 2015, Pages 335-349.

Cases M., Briggs K., Steger-Hartmann T., Pognan F., Marc P., Kleinöder T., Schwab C.H., Pastor M., Wichard J., Sanz F.
The eTOX Data-Sharing Project to Advance in Silico Drug-Induced Toxicity Prediction
International Journal of Molecular Sciences, 15(11), pp. 21136-21154, 2014.

Briggs K., Cases M., Heard D.J., Pastor M., Pognan F., Sanz F., Schwab C.H., Steger-Hartmann T., Sutter A., Watson D.K., Wichard J.D.
Inroads to Predict in Vivo Toxicology - An Introduction to the eTOX Project
International Journal of Molecular Sciences, 13(3), pp. 3820-3846, 2012.

S. Bandholtz, J.D. Wichard, R. Kuehne and C. Groetzinger
Molecular Evolution of a Peptide GPCR Ligand Driven by Artificial Neural Networks
PLoS ONE, DOI: 10.1371/journal.pone.0036948, 2012
Public Library of Science, 2012

J.D. Wichard, A. ter Laak, G. Krause, N. Heinrich, R. Kuehne, G. Kleinau
Chemogenomic Analysis of G-Protein Coupled Receptors and Their Ligands Deciphers Locks and Keys Governing Diverse Aspects of Signalling
PLoS ONE
Public Library of Science, vol. 6, DOI: 10.1371/journal.pone.0016811, 2011.

J.D. Wichard
Forecasting the NN5 Time Series with hybrid models
International Journal of Forecasting
DOI: 10.1016/j.ijforecast.2010.02.011, 2010.

M. Lisurek, B. Rupp, J. Wichard, M. Neuenschwander, J.P. von Kries, R. Frank, J. Rademann, R. Kuehne
Design of chemical libraries with potentially bioactive molecules applying a maximum common substructure concept
Molecular Diversity, DOI 10.1007/s11030-009-9187-z, 2009.

J.D. Wichard, S. Bandholtz, C. Groetzinger and R. Kuehne
Topology Preserving Neural Networks for Peptide Design in Drug Discovery
In: Computational Intelligence Methods for Bioinformatics and Biostatistics
Springer Lecture Notes in Bioinformatics, Vol. 5488,
Masulli, Tagliaferri, Verkhivker (Eds.), pp. 223-241, 2009.

C. Merkwirth, J. Wichard, M. Ogorzalek
Ensemble Modeling for Bio-medical Applications
In: Modelling Dynamics in Processes and Systems,
Springer Studies in Computational Intelligence, Vol. 180,
Mitkowski, Wojciech, Kacprzyk, Janusz (Eds.), pp. 119-135, 2009.

J.D. Wichard, H. Cammann, C. Stephan and T. Tolxdorff
Classification Models for Early Detection of Prostate Cancer
Journal of Biomedicine and Biotechnology,
Article ID 218097, doi:10.1155/2008/218097, 2008.

J.D. Wichard, M. Ogorzalek
Time Series Prediction with Ensemble Models applied to the CATS Benchmark
Neurocomputing, Vol. 70, Nos. 13-15, Page(s):2371-2378, Aug. 2007.

Andreas Rothfuss, Thomas Steger-Hartmann, Nikolaus Heinrich, and Jörg Wichard
Computational Prediction of the Chromosome-Damaging Potential of Chemicals
Chemical Research in Toxicology, 19 (10), Page(s):1313 -1319, September 2006.

J.D. Wichard, M. Ogorzalek, C. Merkwirth
Detecting Correlation in Stock Market
Physica A, 344, Page(s):308-311, Special Issue: Applications of Physics in Financial Analysis 4 (APFA4), Warsaw, Poland, 2004.

Proceedings

Joerg Wichard
An Adaptive Forecasting Strategy with Hybrid Ensemble Models
Proceedings of the WCCI 2016, Vancouver, Canada 2016

Joerg Wichard, Maciej J. Ogorzalek, Christian Merkwirth
CNN in Drug Design - Recent Developments
Proceedings of the ISCAS 2015, Lisbon, Portugal, 2015

J.D. Wichard, S. Bandholtz, C. Groetzinger and R. Kuehne
Computer Assisted Peptide Design and Optimization with Topology Preserving Neural Networks
Proceedings of the 10th International Conference on Artificial Intelligence and Soft Computing, Zakopane, Poland, June 2010,
Springer Lecture Notes in Artificial Intelligence, Vol. 6114, 2010.

J. Wichard, R. Kuehne
Predicting aqueous solubility from structure
Journal of the University of Applied Sciences Mittweida,
Proceedings of the 20. IWKM, 28.-29. Oct 2009.

J.D. Wichard and R. Kuehne
Topology Preserving Neural Networks for Peptide Design in Drug Discovery
Proceedings of the CIBB2008, IIASS - Vietri sul Mare, Salerno, Italy, 3-4 October 2008.

Joerg D. Wichard, Ronald Kuehne and Antonius ter Laak
Binding Site Detection via Mutual Information
Proceedings of the WCCI 2008, Page(s):1770-1776, Hong Kong.

J.D. Wichard
Classification of Ford Motor Data
Contribution to the Ford Classification Challenge at WCCI 2008, Hong Kong.

J.D. Wichard
Forecasting the NN5 Time Series
Contribution to the NN5 Time Series Forecasting Competition, WCCI 2008, Hong Kong.

J.D. Wichard
Agnostic Learning with Ensembles of Classifiers
Proceedings of the IJCNN 2007, Page(s):2887 - 2891, Orlando, Florida, USA.

J.D. Wichard, H. Cammann, T. Tolxdorff and C. Stephan
Early Detection of Prostate Cancer with Classifier Ensembles
Proceedings of the FBIT 2007, Frontiers in the Convergence of Bioscience and Information Technologies,
Page(s):367-372, Jeju Island, Korea.

J.D. Wichard
Model Selection in an Ensemble Framework
Proceedings of the IEEE World Congress on Computational Intelligence WCCI 2006,
Page(s):2187- 2192, Vancouver, Canada.

C. Merkwirth, J.D. Wichard and M. Ogorzalek
A software toolbox for constructing ensembles of heterogenous linear and nonlinear models
Proceedings of the 2005 European Conference on Circuit Theory and Design,
Vol. 3, Page(s): 197-200 Cork, Ireland, 2005.

J.D. Wichard, C. Merkwirth
Robust Long Term Forecasting of Seasonal Time Series
IWANN 2005, Barcelona, Spain.

C. Merkwirth, J. Bröcker, J. Wichard, M. Ogorzalek
Can DT-CNN Classifiers outperform SVM?
Proceedings of NOLTA 2005, Pages:557-560, 2005 Bruges, Belgium.

J.D. Wichard, M. Ogorzalek, C. Merkwirth
Performance of finite iteration DTCNN with truncated stationary templates
Proceedings of the IEEE International Symposium on Circuits and Systems,
May 2005, Vol. 5, Page(s):4657 - 4660, Kobe, Japan.

M. Ogorzalek, C. Merkwirth, J.D. Wichard
Pattern Recognition using Finite-Iteration Cellular System
Proceedings of the CNNA 2005, Page(s):57- 60, Montreal, Canada.

J.D. Wichard, M. Ogorzalek
Time Series Prediction with Ensemble Models
Proceedings of the IJCNN 2004, Page(s):1625-1629, Budapest, Hungary.

J.D. Wichard, M. Ogorzalek, C. Merkwirth, J. Bröcker
Finite Iteration DT-CNN with Stationary Templates
Proceedings of the CNNA 2004, Page(s):459-464, Budapest, Hungary.

J.D. Wichard, M. Ogorzalek
Iterated Time Series Prediction with Ensemble Models
Proceedings of the IASTED 2004, Grindelwald, Switzerland.

C. Merkwirth, J. Bröcker, M. Ogorzalek, J.D. Wichard
Finite Iteration DT_CNN - New Design and Operation Principles
Proceedings of the ISCAS 2004, Page(s):504--507, Vancouver, Canada.

C. Merkwirth, M. Ogorzalek, J.D. Wichard
Stochastic Gradient Descent Training of Ensembles of DT-CNN Classifiers for Digit Recognition
Proceedings of the European Conference on Circuit Theory and Design ECCTD'03, vol.2, Page(s):337-341,
1-4 September 2003, Krakow, Poland.

C. Merkwirth, J.D. Wichard, M. Ogorzalek
Active subset selection approach to nonlinear modeling of ECG data
Proceedings of the IEEE Int. Symposium on Circuits and Systems, Vol. 3, p. 758-762, 2003, Bangkok, Thailand.

P. Maass, T. Koehler, R. Costa, U. Parlitz, J. Kalden, J.D. Wichard and C. Merkwirth
Mathematical methods for forecasting bank transaction data,
DFG-Schwerpunktprogramm 1114, Preprint 24, 2003.

J.D. Wichard, C. Merkwirth, M. Ogorzalek
Building Ensembles with Heterogeneous Models
7th Course of the International School on Neural Nets
IIASS, 22-28 Sep. 2002, Salerno, Italy.

J.D. Wichard, U. Parlitz, W. Lauterborn
Nonlinear Time Seies Analysis in Production Systems
in: Attractors, Signals, and Synergetics
Proceedings of the 1st European Interdisciplinary School on nonlinear Dynamics
for System and Signal Analysis, EUROATTRACTOR 2000,
Warsaw, June 2000, W. Klonowski (ed.)
Page(s):261-267, Pabst Science Publishers (Lengerich, Germany, 2002).

J.D. Wichard
Methoden der angewandten Schwingungsphysik zur Analyse technischer Systeme
Dissertation, Göttingen (2000)

U.Parlitz, C.Merkwirth, J.Wichard, M.Wiesenfeldt, W.Lauterborn
Analysewerkzeuge für Maschinen- und Prozesszustände.
In: Technische Anwendungen von Erkenntnissen der nichlinearen Dynamik,
hrsg. v. VDI-Technologiezentrum Physikalische Technologien;
Düsseldorf : VDI-Technologiezentrum, Page(s):53-57 (1999)

J.D. Wichard, C. Merkwirth, U.Parlitz and W. Lauterborn
Effiziente Nachbar-Suchalgorithmen und deren Anwendung in der nichtlinearen Zeitreihenanalyse
Technische Anwendungen von Erkenntnissen der Nichlinearen Dynamik, Frankfurt a.M. 1999

U. Parlitz, W. Lauterborn, C. Merkwirth, J.D. Wichard,
TSTOOL - Datenanalyse mit Methoden der Nichtlinearen Dynamik
INFO PHYS TECH 23 (1999), VDI-Technologiezentrum Physikalische Technologien

J.D. Wichard, U.Parlitz and W. Lauterborn
Applications of nearest neighbour statistics
1998 International Symposium on Nonlinear Theory and Its Applications (NOLTA'98),
Le Regent, Crans-Montana, Switzerland, Sept. 14-17, Page(s):1245-1248 (1998).

J.D. Wichard
Modellierung nichtlinearer dynamischer Systeme
Diplomarbeit, Göttingen (1997), Postscript

Patents

Wichard, Wiesenfeldt, Weigel
Verfahren zur beruehrungslosen Schwingungsmessung an rotierenden Maschinen
Schenck Vibro GmbH
Deutsche Patentanmeldung 100 14 748.8, 24.03.2000

Wichard, Parlitz, Buschbeck
Verfahren und Vorrichtung zur Bestimmung der einem angetriebenen Rotor anhaftenden Unwucht
Schenck RoTec GmbH
Deutsche Patentanmeldung 100 16 779.9, 05.04.2000

Thürk, Götz, Wichard, Merkwirth, Evert, Kamphausen, Brunzema, Wiesenfeldt
Verfahren und Vorrichtung zur Erfassung von Merkmalen durch Analyse einer Probe menschlicher oder tierischer Koerperstoffe
Novel Science International GmbH
Deutsche Patentanmeldung 100 42 847, 30.08.2000

Poster

J.D. Wichard, C. Merkwirth, U.Parlitz and W. Lauterborn
Efficient nearest-neighbor search and its applications for nonlinear time series analysis,
Investigation of nonlinear dynamic effects in production systems, Aachen 1999