Fast rule-based bioactivity prediction using associative classification mining by Pulan Yu and David J Wild. (Journal of Cheminformatics 2012, 4:29 )
Who moved my acronym? continues: ACM = Association for Computing Machinery or associative classification mining.
Abstract:
Relating chemical features to bioactivities is critical in molecular design and is used extensively in lead discovery and optimization process. A variety of techniques from statistics, data mining and machine learning have been applied to this process. In this study, we utilize a collection of methods, called associative classification mining (ACM), which are popular in the data mining community, but so far have not been applied widely in cheminformatics. More specifically, the classification based on predictive association rules (CPAR), classification based on multiple association rules (CMAR) and classification based on association rules (CBA) are employed on three datasets using various descriptor sets. Experimental evaluations on anti-tuberculosis (antiTB), mutagenicity and hERG (the human Ether-a-go-go-Related Gene) blocker datasets show that these three methods are computationally scalable and appropriate for high speed mining. Additionally, they provide comparable accuracy and efficiency to the commonly used Bayesian and support vector machines (SVM) method, and produce highly interpretable models.
An interesting lead on investigation of associations in large data sets. Pass on those meeting a threshold on for further evaluation?