PAS is the program to estimate eco-toxicity from structure by structure-activity relationship and read across.
-- Now only for trial --
( Platform for Assessment from Structure ]
PAS provides a prototype of QSAR (Quantitative Structure Activity Relationship). PAS has the basic function of definition of partial structure (fragment) , searching logic and drawing of chemical structure.
PAS (version 1) was employed in KATE(KAshinhou Tool for Ecotoxicity; National Institute for Environmental Studies, Japan) as a program to estimate eco-toxicity.
The definition and search method for fragments is named as 'FITS'; Fragment Identification by Tree Structure'. FITS has developed and changed widely for an easy use at version 2.
It is possible to use the program as it is with or without fleshing out the database.The latest version is 2.00.04 (Deviced on 2017.11.01).
The reason why I provide the prototype is to facilitate the user to maintain own data, enables the changes of the program, and reconstruct own QSAR system.
Please click [Download Source Code] for the source code PAS_U. PAS_U provide a system as a sample for your own QSAR development. The program equips also the sample for Read Across and decision path of two ramification method.