CTX file

TSV: tab separated file format for import into spreadsheets and other applications

computes autocorrelation functions from a variety of physicochemical effects, such as atom type, atom charges or atom polarizability

computes conformation independent (2D) or conformation dependent (3D) autocorrelation functions

handles properly any organic compound

processes a data set of 100,100 small to medium-sized molecules in 473 sec on a 1.0 GHz workstation (5 ms/cpd, 100% conversion rate)