The Predictive Toxicology Challenge 2000-2001

A Workshop at the 5th European Conference on Principles and Practice of Knowledge Discovery in Databases (PKDD 2001), September 3 - 7, 2001, Freiburg, Germany

NEW: Workshop related deadlines modified
NEW:Workshop schedule
NEW: Workshop proceedings


The purpose of this workshop is to discuss the results and submissions from the Predictive Toxicology Challenge 2000-2001. The present Predictive Toxicology Challenge is the successor of an earlier one announced at the International Joint Conference on AI 1997 conference. Both competitions were inspired by the NIEHS Predictive-Toxicology Evaluation Project, which involved contributions from human experts, expert systems, experimental techniques and data driven methods. 

The Predictive Toxicology Challenge (PTC) 2000-2001

The Challenge is to obtain models that predict the outcome of biological tests for the carcinogenicity of chemicals using information related to chemical structure only. Details, including datasets and instructions for submissions, can be found on the PTC website.

Workshop Organization

This workshop shall give all participants of the Predictive Toxicology Challenge the opportunity to present and discuss the submissions. Short presentations can cover methodological details of PTC submissions or aspects of Predictive Toxicology with general relevance. Participants interested in an oral presentation should submit an extended abstract, no longer than 2000 words, until July 20, 2001 to and register for the ECML/PKDD 2001 Conference. The collection of abstracts will be published as Workshop proceedings, further dissemination in a special issue of a journal will be discussed at the workshop. Acceptable abstract formats are HTML, Postscript and PDF. A large part of the workshop will be devoted to discussions about issues which will arise during the evaluation of the PTC submissions.

Important Dates

PTC related

Data Engineering September 01, 2000 March 01, 2001
Model Construction March 02, 2001 June 01, 2001
Model Evaluation June 02, 2001 August 15, 2001

Workshop related


C. Helma, University Freiburg

R.D. King, University of Wales

S. Kramer, University Freiburg

A. Srinivasan, Oxford University

Organizing Committee

Romualdo Benigni, Italian National Institute of Health

Doug Bristol, NIEHS

Diane Cook, University of Texas

Giuseppina Gini, Politecnico di Milano

John Lloyd, Australian National University

Bernhard Pfahringer, University of Waikato

Ann Richard, US EPA

Herbert Rosenkranz, University of Pittsburgh

Yin-tak Woo, US EPA


9.15-10.15: Introduction and Summary
R. King (University of Wales), D. Bristol (US NIEHS) and S. Kramer (University of Freiburg):
    Summary of the Predictive Toxicology Challenge (PTC) 2000-2001
C. Helma (University of Freiburg):
    Toxicological Background of the PTC
10.45-12.45: Contributions
H. Blockeel, K. Driessens, N. Jacobs, R. Kosala, S. Raeymaekers, J. Ramon, J. Struyf, W. Van Laer, S. Verbaeten (Katholieke Universiteit Leuven):
    First-Order Models for the Predictive Toxicology Challenge 2000-2001
H. Ohwada, M. Koyama, Y. Hoken (Science University of Tokyo):
    ILP-based Rule Induction for Predicting Carcinogenicity
K.S. Ng, J.W. Lloyd, A.W. Slater (Australian National University):
    Predictive Toxicology Using a Decision Tree Learner
B. Pfahringer (University of Waikato):
    (The Futility of) Trying to Predict Carcinogenicity of Chemical Compounds
T. Okada (Kwansei Gakuin University):
    Characteristic Substructures and Properties in the Chemical Carcinogenicity Studied by the Cascade Model
V.G. Blinova, D.A. Dobrynin, S.O. Kuznetsov, E.S. Pankratova (All-Russia Institute for Scientific and Technical Information):
    Toxicology Analysis by Means of Simple JSM Method
J.F. Boulicaut, B. Cremilleux (INSA Lyon):
    Delta-Strong Classification Rules for Characterizing Chemical Carcinogens
T.H. Reijmers, M. Engels (Janssen Research Foundation):
    The Application of Several Variable Selection Methods in the Predictive Toxicology Challenge 2000-2001
14.30-15.40: Evaluation
D. Bristol (US NIEHS):
    Modeling Carcinogenicity: Results Reflect Representation
Y.-T. Woo (US EPA):
    Predictive Toxicology Challenge (PTC) 2000-2001: A Toxicologist's View and Evaluation
16.15-17.30: General Discussion

Workshop Proceedings