Learning programs with numerical reasoning

Drug design is the process of identifying molecules responsible for medicinal activity. Suppose we want to automate drug design with machine learning. To do so, we would like to automatically learn programs which explain why a molecule is active or inactive. For instance, as illustrated in the figure above, a program might determine that a molecule is active if it contains a hydrogen atom with a charge greater than 0.2C, and located within 0.1 angstroms of a carbon atom. Discovering this program involves identifying the numerical values 0.2 and 0.1.