Module 6: Comparing and Searching Chemical Entities | DivCHED CCCE: Cheminformatics OLCC

Molecular similarity methods can be broadly classified into two-dimensional (2-D) and three-dimensional (3-D) similarity methods.  Typically, 2-D similarity methods use so-called molecular fingerprints, which encode structural information of a molecule into a binary string (that is, a string of 0’s and 1’s).  The position of each number in this string corresponds to a particular fragment.  If the molecule has a particular fragment, t

Using tanimoto coefficient compare the two molecules on your list