Proceedings

The Levelwise Version Space Algorithm and its Application to Molecular Fragment Finding

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Proceedings of the Seventeenth International Joint Conference on Artificial Intelligence. Pages 853-861.

Abstract

A tight integration of Mitchell’s version space algorithm with Agrawal et al.’s Apriori algorithm is presented. The algorithm can be used to generate patterns that satisfy a variety of constraints on data. Constraints that can be imposed on patterns include the generality relation among patterns and imposing a minimum or a maximum frequency on data sets of interest. The theoretical framework is applied to an important application in chemo-informatics, i.e. that of finding fragments of interest within a given set of compounds. Fragments are linearly connected substructures of compounds. An implementation as well as preliminary experiments within the application are presented.

Luc de Raedt, and Stefan Kramer. 2001. The Levelwise Version Space Algorithm and its Application to Molecular Fragment Finding. In Proceedings of the Seventeenth International Joint Conference on Artificial Intelligence, IJCAI-01. IJCAI, 853–861. https://ijcai.org/proceedings/2001/117
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