Did some work on the dataset. Trying to figure out what descriptors to use and the general format that the dataset will take
Had no time to try out Automated Google Searches. Hopefully next week along with RDKit
A few questions:
Many datasets use different thresholds for logBB and therefore to define BBB permeability. Should I just choose one and stick to it?
While doing some dataset exploration I used PubChem to compare some of the descriptors and I noticed some differences. Different number of hydrogen bond acceptors, etc. Should I take the data as it is in the dataset or try to update it with the one available at PubChem?
I read an interesting paper discussing the idea of having as descriptors the drug/compound side effects. Would it be something interesting to follow and try to implement?
Should I read more papers or focus on the dataset?