Importance

Loading Importance Indicators...

Abstract

Systems and methods are described for forming a decision tree by considering multiple possible alternative tests or thresholds as well as the possible alternative branches from each test or threshold. This method of making decision trees may be referred to as 'look-ahead' or 'chart-ahead' recursive partitioning because tests or thresholds can be selected not only for their own ability to divide items into different classes, but also for the ability of future tests or thresholds, enabled by the present tests or thresholds, to further divide items into classes. In preferred embodiments, the method of making the decision tree includes generating clusters of items having similar descriptors and properties, and then evaluating various tests or thresholds for their ability to isolate clusters. Also disclosed are methods of using such decision trees, particularly for the purpose of predicting the unknown properties of molecules.

Loading the Abstract Image...

First Claim