Versions of the invention are directed to computer-based methods, apparatus and software (programs) for fast, dynamic programming and recursive partitioning techniques to segment data, especially real-world data, into data structures for display as nodal trees. These techniques and displayed data in segmented form have numerous applications, especially for the analysis and understanding of real-world data. Some particular applications are in the area of computational high throughput screening of molecular drug (or pharmaceutical) candidates using a quantitative structure activity relationship (QSAR) approach. Another particular application is in the areas of pharmacogenomics and pharmacogenetics.