François-Yves Dupradeau, Adrien Pigache, Thomas Zaffran, Corentin Savineau, Rodolphe Lelong, Nicolas Grivel, Dimitri Lelong, Wilfried Rosanski and Piotr Cieplak.
The R.E.D. tools: advances in RESP and ESP charge derivation and force field library building, Phys. Chem. Chem. Phys., 2010, 12, 7821.
This URL links to the dataset on QSAR world
Compounds and their property with respect to crossing of the "Blood-Brain Barrier" (BBB) have been given in the paper.
In all 80 compounds with their BBB permabilty have been given in the files provided here. 45 "Cross" the BBB while 35 "Do Not Cross" the BBB
51 compounds and their % Absorbed values have been provided in the paper. For some compounds the values have either not been given or indicated as irregular/poor/erratic/rapidly metabolized. THe datasets are available from QSAR World: http://www.qsarworld.com/qsar-datasets-yazdanian.php
E Jin, Xiaofeng Lu, Xiujie Bian, Lirong Kong, Wanjin Zhang and Ce Wang.
Unique tetragonal starlike polyaniline microstructure and its application in electrochemical biosensing, J. Mater. Chem., 2010, 20, 3079.
Annamalai Senthil Kumar, Puchakayala Swetha and K. Chandrasekara Pillai.
Enzyme-less and selective electrochemical sensing of catechol and dopamine using ferrocene bound Nafion membrane modified electrode, Anal. Methods, 2010, 2, 1962.