This is a test version of Biostars. For the public version, visit https://www.biostars.org.
Structural alignment of compounds

Is there any algorithm for structural alignment of compounds (using pdb files)? or which algorithms are used for finding structurally similar compounds by using which parameters as in Pubchem compounds and in chemicalize org?

alignment algorithms

1 answer

Look zinc.docking.org

Thanks. But I want the strategy and algorithm behind structural similarity searches.

Log in to answer this question.