Compound Similarity Calculation
Compound Database: PDB DrugBank BindingDB L1000 HMDB natural compound FDA-approved from DrugBank Compound Features: Checkmol Atom Pair CM+AP CM+AC(rank combination) CM+AC(feature combination) AC Similarity Method: Tanimoto Pearson Correlation Coefficient Euclidean Distance Checkmol(CM) cutoff: Atom Pair(AP) cutoff: Atom Composition(AC) cutoff: CM+AC feature combination cutoff: Number of results: