Snapshots and Input/Output files
SAMPLE INPUT and OUTPUT Files
SAMPLE INPUT and OUTPUT Files
Input File
Input File
Same format for all three modules
Same format for all three modules
First Row: Header names, i.e., name for each column, for instances, ‘Chemical ID’, ‘chemical name’, ‘descriptor names’, etc.
First column: Chemical ID or serial number (data can be numerical/alpha-numericals/alphabets )
Second column: Chemical Name (data can be numerical/alpha-numericals/alphabets )
Subsequent columns: Descriptors values (data can be numerical values only)
PROPERTY PREDICTOR MODULE
PROPERTY PREDICTOR MODULE
Output Files
Output Files
DETAIL REPORT (.txt file)
SUMMARY REPORT (.csv file)
READ ACROSS REPORT (.csv file)
Screener Module
Screener Module
OUTPUT FILE
OUTPUT FILE
Sample screening results for 9900 ionic liquids against Vibrio Fischeri toxicity
SCREENING REPORT (.csv file)
Fate Predictor module
Fate Predictor module
Graphs and Output files
Graphs and Output files
FATE ASSESSMENT REPORT (.txt file)
FATE ASSESSMENT REPORT FOR ANALYSIS (.csv file)