Finding Analogs in Cmap - Similarity Search with Rchemcpp

Upload your MOL/SDF file here:

For information on the kernel types and the kernel parameters please refer to: Rchemcpp kernel documentation

Marginalized Walk

Spectrum Walk

Tanimoto Walk

MinMax Walk

Lambda-k Walk

Subtree

Pharmacophore [upon request]

Depth

Lambda - Weighting of the walks/subtrees

Stopping Probability

Filter tottering

Uploaded file:

Calculations are running. Please be patient.

(Computation may take some time. Please be patient.)