Abstract
Lazy learning methods are based on retrieving a set of precedent cases similar to a new case. An important issue of these methods is how to estimate the similarity among a new case and the precedents. Usually, similarity measures require that cases have a prepositional representation. In this paper we present Shaud, a similarity measure useful to estimate the similarity among relational cases represented using featureterms. We also present results of the application of Shaud forsolving classification tasks. Specifically we used Shaud for assessingthe carcinogenic activity of chemical compounds in the Toxicology dataset.
Similar content being viewed by others
References
Armengol, E. & Plaza, E. (2000). Bottom-up Induction of Feature Terms. Machine Learning 41(1): 259–294.
Armengol, E. & Plaza, E. (2001). Individual Prognosis of Diabetes Long-term Risks: A CBR Approach. Methods of Information in Medicine: 46–51.
Armengol, E. & Plaza, E. (2001) Similarity Assessment for Relational CBR. In Aha, D. W. & Watson, I. (eds.) CBR Research and Development. Proceedings of the ICCBR 2001. Vancouver, BC, Canada, 44–58. Lecture Notes in Artificial Intelligence, 2080, Springer-Verlag.
Bergmann, R. & Stahl, A. (1998). Similarity Measures for Object-Oriented Case Representations. Proc. European Workshop on Case-Based Reasoning, EWCBR-98, 8–13. Lecture Notes in Artificial Intelligence. Springer Verlag.
Bisson, G. (1995). Why and How to Define a Similarity Measure for Object Based Representation Systems. In Towards Very Large Knowledge Bases, 236–246. Amsterdam: IOS Press. citeseer.nj.nec.com/bisson95why.html
Blinova, V., Bobryinin, D. A. & Kuznetsov, S. O. & Pankratova, E. S. (2001). Toxicology Analysis by Means of Simple JSM Method. Proceedings of the Predictive Toxicology Challenge Workshop, Freiburg, Germany, 2001.
Blockeel, H., Driessens, K., Jacobs, N., Kosala, R., Raeymaekers, S., Ramon, J., Struyf, J., Van Laer, W. & Verbaeten, S. (2001). First Order Models for the Predictive Toxicology Challenge 2001. Proceedings of the Predictive Toxicology Challenge Workshop, Freiburg, Germany, 2001.
Boulicaut, J-F. & Cremilleux, B. (2001). δ-strong Classification Rules for Characterizing Chemical Carcinogens. Proceedings of the Predictive Toxicology Challenge Workshop, Freiburg, Germany, 2001.
Börner, K. (1994). Structural Similarity as a Guidance in Case-Based Design. Topics in Case-Based Reasoning: EWCBR'94, 197–208.
Bunke, H. & Messmer, B. T. (1994). Similarity Measures for Structured Representations. Topics in Case-Based Reasoning: EWCBR'94, 106–118.
Chittimoori, R., Holder, L. & Cook, D. (1999). Applying the Subdue Substructure Discovery System to the Chemical Toxicity Domain. Proceedings of the Twelfth International Florida AI Research Society Conference, 1999, 90–94. citeseer.nj.nec.com/chittimoori99applying.html
Dehaspe, L., Toivonen, H. & King, R. D. (1998). Finding Frequent Substructures in Chemical Compounds. In Agrawal, R., Stolorz, P. & Piatetsky-Shapiro, G. (eds.) 4th International Conference on Knowledge Discovery and Data Mining, 30–36. AAAI Press.
Deshpande, M. & Karypis, G. (2002). Automated Approaches for Classifying Structures. Proc. of the 2nd Workshop on Data Mining in Bioinformatics. citeseer.nj.nec.com/deshpande02automated.html
Dietterich, T., Lathrop, R. & Lozano-Perez, T. (1997). Solving the Multiple Instance Problem with Axis-Parallel Rectangles. AI Journal 89(1–2): 31–71.
Egan, J. P. (1975). Signal Detection Theory and ROC Analysis. Series in Cognition and Perception. New York: Academic Press.
Emde, W. & Wettschereck, D. (1996). Relational Instance Based Learning. In Saitta, L. (ed.) Machine Learning – Proceedings 13th International Conference on Machine Learning, 122–130. Morgan Kaufmann Publishers.
Gonzalez, J. A., Holder, L. B. & Cook, D. J. (2000). Graph Based Concept Learning. AAAI/IAAI, 1072. citeseer.nj.nec.com/469541.html
Gonzalez, J., Holder, L. & Cook, D. (2001). Application of Graph-Based Concept Learning to the Predictive Toxicology Domain. Proceedings of the Predictive Toxicology Challenge Workshop, Freiburg, Germany, 2001. citeseer.nj.nec.com/498195.html
Helma, C., King, R., Kramer, S. & Srinivasan, A. (2001). The Predictive Toxicology Challenge 2000–2001. ECML/PKDD 2001. Freiburg.
Helma, C. & Kramer, S. (2003). A Survey of the Predictive Toxicology Challenge 2000–2001. Bioinformatics, in press.
Horváth, T., Wrobel, S & Bohnebeck, U. (2001). Relational Instance-based Learning with Lists and Terms. Machine Learning Journal 43(1): 53–80.
Ohwada, H., Koyama, M. & Hoken, Y. (2001). ILP-based Rule Induction for Predicting Carcinogenicity. Proceedings of the Predictive Toxicology Challenge Workshop, Freiburg, Germany, 2001.
Pfahringer, B. (2001). (The Futility of) Trying to Predict Carcinogenicity of Chemical Compounds. Proceedings of the Predictive Toxicology Challenge Workshop, Freiburg, Germany, 2001. citeseer.nj.nec.com/473643.html
Plaza, E. (1995). Cases as terms: A Feature Term Approach to the Structured Representation of Cases. In Veloso, M. & Aamodt, A. (eds.) Case-Based Reasoning, ICCBR-95, 265–276. Lecture Notes in Artificial Intelligence. Springer-Verlag.
Plaza, E. & López de Mántaras, R. & Armengol, E. (1996). On the Importance of Similitude: An Entropy-Based Assessment. In Smith, I. & Saltings, B. (eds.) Advances in Case-Based Reasoning, 324–338. Lecture Notes in Artificial Intelligence, 1168. Springer-Verlag.
Provost, E. & Fawcett, T. (1997). Analysis and Visualization of Classifier Performance: Comparison under Imprecise Class and Cost Distributions. Proceedings of the KDD-97.
Ricci, F. & Senter, L. (1998). Structured Cases, Trees and Efficient Retrieval. Lecture Notes in Computer Science 1488: 88–99.
Weininger, D. J. (1988). SMILES a Chemical Language and Information System. J. Chem. Inf. Comput. Sci. 281): 31–36.
Wettschereck, D. & Dietterich, T. G. (1994). Locally Adaptive Nearest Neighbor Algorithms. In Cowan, J. D., Tesauro, G. & Alspector, J. (eds.), Advances in Neural Information Processing Systems, vol. 6. 184–191. Morgan Kaufmann Publishers, Inc.
Woo, Y. (2001). Predictive Toxicology Challenge 2000–2001. A Toxicologist's View and Evaluation. Proceedings of the Predictive Toxicology Challenge Workshop, Freiburg, Germany, 2001.
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Armengol, E., Plaza, E. Relational Case-based Reasoning for Carcinogenic Activity Prediction. Artificial Intelligence Review 20, 121–141 (2003). https://doi.org/10.1023/A:1026076312419
Issue Date:
DOI: https://doi.org/10.1023/A:1026076312419