Methods, systems, and software for identifying functional bio-molecules
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 digital apparatus comprising:
(a) a network port;
(b) a CPU;
(c) one or more user input devices; and
(d) a memory comprising the following computer program instructions:
(i) using a genetic algorithm to identify cross-product terms for use in a model, wherein a predictive power of a model generated during execution of the genetic algorithm is used as a fitness function for the model;
(ii) generating a best model having said cross-product terms; and
(iii) applying said best model to generate a library of resulting structures.