poli.objective_repository.rdkit_qed.register.QEDProblemFactory#
- class poli.objective_repository.rdkit_qed.register.QEDProblemFactory#
Problem factory for the QED problem.
The Quantitative Estimate of Druglikeness (QED) objective function returns a “continuous” version of Lipinsky’s rule of 5, which is a heuristic to evaluate the druglikeness of a molecule (discarding molecules that are e.g. too heavy).
- create(...)#
Creates a problem instance with the specified parameters.
- __init__()#
Methods
__init__
()create
([string_representation, alphabet, ...])Creates a QED black box function and initial observations.