State-of-the-Art Genetic Programming for Predicting Human Oral Bioavailability of Drugs

摘要

Being able to predict the human oral bioavailability for a potential new drug is extremely important for the drug discovery process. This problem has been addressed by several prediction tools, with Genetic Programming providing some of the best results ever achieved. In this paper we use the newest state-of-the-art developments of Genetic Programming, in particular the latest bloat control method, to find out exactly how much improvement we can achieve on this problem. We show examples of some actual solutions and discuss their quality from the practitioners' point of view, comparing them with previously published results. We identify some unexpected behaviors and discuss the way for further improving the practical usage of the Genetic Programming approach.