Ertl polar surface area calculation algorithm
Go to external page http://semanticscience.org/resource/CHEMINF_000306
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.