Ertl polar surface area calculation algorithm

Go to external page http://semanticscience.org/resource/CHEMINF_000306


This is just here as a test because I lose it

术语信息

definition

Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties, Ertl, P., Rohde, B., Selzer, P., J. Med. Chem. 2000, 43, 3714-3717.