Diversity Selection From SDF Files

This form takes two lists of molecules and performs a diversity subset selection from the second avoiding molecules from the first set.

SDF File of structures to be avoided:

SDF File of structures to be selected from:

Use Property Constraints:

Maximum CLOGP of Candidate Compound:

Maximum Molecular Weight of Candidate Compound:

Number of Compounds:

Provide a Substitute:

Minumum Similarity of Substitute: %