Fabian Buchwald, Dipl.-Bioinf.

E-Mail: buchwald@in.tum.de

Forschungsinteressen

Data Mining, Machine Learning, Prädiktive Toxikologie, Bioinformatik, Chemieinformatik

Forschung

Ich habe Bioinformatik an der Technischen Universität München und der Ludwig-Maximilians-Universität studiert. Bis August 2011 arbeitete ich an meiner Dissertation über prädiktive Toxikologie als wissenschaftlicher Mitarbeiter in der Machine Learning und Data Mining in Bioinformatik-Gruppe von Prof. Kramer. Ich arbeitete an dem EU FP7 Projekt OpenTox, mit dem Ziel ein prädiktives Toxikologie-Framework zu entwickeln, das einen einheitlichen Zugang zu toxikologischen Daten und (Q)SAR-Modellen bietet.

Aktivitäten

(Co-)Reviewing

IEEE International Conference on Data Mining (ICDM-2008, 2009)
ACM Symposium on Applied Computing (SAC-2009) Data Mining Track
European Conference on Machine Learning/European Conference on Principles and Practice of Knowledge Discovery in Databases (ECML/PKDD-2008, 2010)
International Conference on Discovery Science (DS-2008)
SAR and QSAR in Environmental Research (2009)
International Workshop on Mining and Learning with Graphs (MLG-2008, 2009)
BMC Bioinformatics (2010)
SIAM International Conference on Data Mining (SDM-2009, 2010)
ACM SIGKDD Conference on Knowledge Discovery and Data Mining (KDD-2011)

Veröffentlichungen

Alphonse, E, Girschick, T, Buchwald, F, and Kramer, S (2011).
A Numerical Refinement Operator based on Multi-Instance Learning
In: Inductive Logic Programming - 20th International Conference, ILP 2010, ed. by Paolo Frasconi and Francesca A. Lisi, vol. 6489, pp. 14-21, Springer. LNCS/LNAI.

Buchwald, F, Girschick, T, Seeland, M, and Kramer, S (2011).
Using Local Models to Improve (Q)SAR Predictivity
Molecular Informatics, 30(2-3):205-218.

Buchwald, F, Richter, L, and Kramer, S (2011).
Predicting a small molecule-kinase interaction map: A machine learning approach
Journal of Cheminformatics, 3:22.

Hamp, T, Birzele, F, Buchwald, F, and Kramer, S (2011).
Improving Structure Alignment Based Prediction of SCOP Families Using Vorolign Kernels
Bioinformatics, 27(2):204-210.

Buchwald, F, Girschick, T, Frank, E, and Kramer, S (2010).
Fast Conditional Density Estimation for Quantitative Structure-Activity Relationships
In: Proceedings of the 24th AAAI Conference on Artificial Intelligence, pp. 1268-1273, AAAI Press.

Girschick, T, Buchwald, F, Hardy, B, and Kramer, S (2010).
OpenTox: A Distributed REST Approach to Predictive Toxicology
In: Proceedings of the 3rd Workshop on Third-Generation Data Mining: Towards Service-Oriented Knowledge Discovery (SoKD’10) at the European Conference on Machine Learning and Principles and Practice of Knowledge Discovery in Databases 2010, ed. by Melanie Hilario, Nada Lavrač, Vid Podpečan, Joost N. Kok, pp. 61-62.

Hardy, B, Douglas, N, Helma, C, Rautenberg, M, Jeliazkova, N, Jeliazkov, V, Nikolova, I, Benigni, R, Tcheremenskaia, O, Kramer, S, Girschick, T, Buchwald, F, Wicker, J, Karwath, A, Gütlein, M, Maunz, A, Sarimveis, H, Melagraki, G, Afantitis, A, Sopasakis, P, Gallagher, D, Poroikov, V, Filimonov, D, Zakharov, A, Langunin, A, Gloriozova, T, Novikov, S, Skvortsova, N, Druzhilovsky, D, Chawla, S, Gosh, I, Ray, S, Patel, H, and Escher, S (2010).
Collaborative Development of Predictive Toxicology Applications
Journal of Cheminformatics, 2(7).

Rückert, U, Girschick, T, Buchwald, F, and Kramer, S (2010).
Adapted Transfer of Distance Measures for Quantitative Structure-Activity Relationships
In: Proceedings of the 13th International Conference on Discovery Science, ed. by B. Pfahringer, G. Holmes, A. Hoffman, vol. 6332, pp. 341-355, Springer. LNCS/LNAI.

Seeland, M, Girschick, T, Buchwald, F, and Kramer, S (2010).
Online Structural Graph Clustering using Frequent Subgraph Mining
In: Proceedings of the European Conference of Machine Learning and Principles and Practice of Knowledge Discovery in Databases, ed. by J.L. Balcazar, F. Bonchi, A.Gionis, M.Sebag, vol. 3, pp. 213-228.

Zimek, A, Buchwald, F, Frank, E, and Kramer, S (2010).
A Study of Hierarchical and Flat Classification of Proteins
IEEE/ACM Transactions on Computational Biology and Bioinformatics, 7:563-571.

Edelstein, M, Buchwald, F, Richter, L, and Kramer, S (2009).
Integrating Background Knowledge from Internet Databases into Predictive Toxicology Models
SAR QSAR Environmental Research, 21(1):21-35.

Ausgewählte Vorträge und Tutorials

Vorträge:

Integrating Background Knowledge from Internet Databases into Predictive Toxicology Models, at the 5th International Symposium on Computational Methods in Toxicology and Pharmacology Integrating Internet Resources, Istanbul, Turkey, July 4, 2009
Using Local Models to Improve (Q)SAR Predictivity, at the 18th European Symposium on Quantitative Structure-Activity Relationships, Rhodes, Greece, Sept. 20, 2010

Poster:

Girschick, T, Buchwald, F, Kramer, S (2010), Combining Local and Global Chemical Distance Measures for Quantitative Structure-Activity Relationships, 18th European Symposium on Quantitative Structure-Activity Relationships, Rhodes, Greece
Seeland, M, Girschick, T, Buchwald, F, Kramer, S (2010), Clustering Structure Databases Using Frequent Substructure Mining, 18th European Symposium on Quantitative Structure-Activity Relationships, Rhodes, Greece

Lehre

Programmierpraktikum Bioinformatik (2006, 2007, 2008)
Proseminar (SS2009)
Hauptseminar Bioinformatik (WS08/09, WS09/10, WS10/11)
Tutor Machine Learning and Data Mining in Bioinformatics (WS09/10)

Benutzerspezifische Werkzeuge

Sektionen