Questions tagged [qsar]
Quantitative Structure-Activity Relationship
Scalings that can be used during QSAR
Respected sir/ madam When we perform QSAR say for some Biological activity prediction For the features that is on the independent variables Say in my case the independent variables are topological ...
What are exactly QSAR models?
I'm reading on the internet about QSAR models and I don't really understand what they are. I see some webs in which some data mining techniques like random forest, CART, etc., are mentioned. What are ...
Predicting chemical property (Boiling Point) from a SMILES string
I was trying to develop a model for predicting Boiling Points (BP) given a chemical name. One good and unique (ok, almost) way to encode a name is the SMILES notation string. The details of the ...