Install mdfptools #Chemoinformatics #RDKit #memo

I heard many exciting presentation at virtual meeting of ‘3rd RSC-BMCS / RSC-CICAG Artificial Intelligence in Chemistry’. And I had interest about MDFP (molecular dynamics Finger Print). MDFP can analyze molecular flexibility and solvent accessible surface are (SASA) etc. They are important parameters for permeability, p-gp and other molecular properties. In the following article combinationContinue reading “Install mdfptools #Chemoinformatics #RDKit #memo”