The visualization of linear algebra algorithms in Apt Apprentice

Abstract

The development of tools that can increase the productivity of computational chemists is of paramount importance to the pharmaceutical industry. Reducing the cost of drug research benefits consumer and company alike. Apt Apprentice is a visual programming paradigm designed to reduce the overhead associated with creating software to implement algorithms in the data analysis phase of rational drug design. It draws on both standard programming language environments and programming by demonstration. The approach of Apt Apprentice and an example of its use in implementing a linear algebra routine are described. © Springer-Verlag Berlin Heidelberg 2005.