Hello,
If one wants to use descriptors created outside of PP (i.e. with a third-party program) including molecular properties, counts and fingerprints in one of PP's Learners, what is the best format to use to import them? For continuous variables such as physical properties there is no ambiguity but what about fingerprints? Assuming that the fingerprints are imported in tabular form having one feature per column (say FP1, FP2, FP3,...) do the PP learners expect Fixed-Length Array of bits or Fixed-Length Array of counts? And is it possible to define a range of properties that are fingerprints to distinguish them from everything else? Apparently when the "PreDefinedSet" option is set for the "UseProperties" parameter, fingerprints can be chosen separately from the other properties. Can such a distinction be made when importing custom properties?
Also when external descriptors are imported to PP for use in one of its learners using the "UserSet" in the "UseProperties" parameter, does the learner treat the descriptors just as a vector irrespectively of the nature of its contents (e.g. real continuous, real discrete, binary etc.)?
Many thanks!
Agis