Inductive queries for a drug designing robot scientist

It is increasingly clear that machine learning algorithms need to be integrated in an iterative scientific discovery loop, in which data is queried repeatedly by means of inductive queries and where the computer provides guidance to the experiments that are being performed. In this chapter, we summarise several key challenges in achieving this integration of machine learning and data mining algorithms in methods for the discovery of Quantitative Structure Activity Relationships (QSARs). We introduce the concept of a robot scientist, in which all steps of the discovery process are automated; we discuss the representation of molecular data such that knowledge discovery tools can analyse it, and we discuss the adaptation of machine learning and data mining algorithms to guide QSAR experiments

A review of associative classification mining

Associative classification mining is a promising approach in data mining that utilizes the association rule discovery techniques to construct classification systems, also known as associative classifiers. In the last few years, a number of associative classification algorithms have been proposed, i.e. CPAR, CMAR, MCAR, MMAC and others. These algorithms employ several different rule discovery, rule ranking, rule pruning, rule prediction and rule evaluation methods. This paper focuses on surveying and comparing the state-of-the-art associative classification techniques with regards to the above criteria. Finally, future directions in associative classification, such as incremental learning and mining low-quality data sets, are also highlighted in this paper