EPI Suite Data

The downloaded files are provided in "zip" format ... the downloaded file must be "un-zipped" with common utility programs such as WinZip. 

Basic Instructions:

(1) Download the zip file
(2) Un-Zip the file

WSKOWWIN Program Methodology & Validation Documents (includes Training & Validation datasets) -  Download file is: WSKOWWIN_Datasets.zip (180 KB)

     Click here to download WSKOWWIN_Datasets.zip

 WATERNT (Water Solubility Fragment) Program Methodology & Validation Documents (includes Training & Validation datasets) -  Download file is: WaterFragmentDataFiles.zip (511 KB)

     Click here to download WaterFragmentDataFiles.zip

 

MPBPWIN (Melting Pt, Boiling Pt, Vapor Pressure) Program Test Sets -  Download file is: MP-BP-VP-TestSets.zip (1983 KB)

     Click here to download MP-BP-VP-TestSets.zip

 

BCFBAF Excel spreadsheets of BCF and kM data used in training & validation ... (includes the Jon Arnot Source BCF DB with multiple BCF values) -  Download file is: Data_for_BCFBAF.zip (1.4 MB)

     Click here to download Data_for_BCFBAF.zip

 

HENRYWIN Data files used in training & validation ... (includes Meylan and Howard (1991) Data document) -  Download file is: HENRYWIN_Data_EPI.zip (531 K )

     Click here to download HENRYWIN_Data_EPI.zip

 

 Sub-Structure Searching Files:

ISISTM/Base & SD Files of the EPI Suite Program Experimental Data Files are now available ... The ISISTM/Base files require the commercial program for use ... The SD Files can be imported other commercial chemical structure programs (such as ChemFinder) ... Available at:

http://esc.syrres.com/interkow/EpiSuiteData_ISIS_SDF.htm