Methods, systems, and software for identifying functional biomolecules
The present invention generally relates to methods of rapidly and efficiently searching biologically-related data space. More specifically, the invention includes methods of identifying bio-molecules with desired properties, or which are most suitable for acquiring such properties, from complex bio-molecule libraries or sets of such libraries. The invention also provides methods of modeling sequence-activity relationships. As many of the methods are computer-implemented, the invention additionally provides digital systems and software for performing these methods.
1 . A method of generating a model, the method comprising
(a) using a genetic algorithm in a first generation to identify cross-product terms for use in a second generation;
(b) repeating (a) until the genetic algorithm converges;
(c) selecting a top ranked model based on the performance of the top ranked model from a number of successive generations, such that the performance does not change appreciably over said successive generations; and
(d) assessing the top ranked model using an NK landscape as a synthetic data source.