Technology: INDDEx
The Equinox methodology is INDDExTM (Investigational Novel Drug Discovery by Example). This is primarily a ligand-based approach, but it can also include receptor-based information. INDDExTM is based on a novel machine learning approach generating logic rules from quantitative structure activity relationships and known inactive molecules. The INDDExTM methodology uses two rules learning engines JSAR and CProgol to generate logic rules combined with support vector machine (SVM) approaches and partial least square (PLS) methods to quantify the logic rules. The schematic below illustrates how these four pieces of software are integrated to produce a predictive model of activity from a set of training data.
