Pages in category "Indigo/C++"

The following 6 pages are in this category, out of 6 total.

C

• Change stereochemistry of certain atoms in SMILES file
• Convert SMILES file to SD file

F

• Find the 10 nearest neighbors in a data set

H

• Heavy atom counts from an SD file

P

• Perform a substructure search on SDF file and report the number of false positives

R

• Report the similarity between two structures