SRC's  EPI Suite

The EPI Suite includes all SRC estimation programs, the SMILECAS Database, three modeling programs, and the EPIWIN program. The Estimation Programs Interface for Windows (EPIWIN) is an interface program that transfers a single SMILES notation to ten separate structure estimation programs that require SMILES notations. The ten stand-alone programs, that are included the EPI Suite of Programs, are:

AOPWIN - estimates atmospheric oxidation rates

BCFWIN - estimates bioconcentration factor (BCF)

BIOWIN - estimates biodegradation probability

ECOSAR - estimates aquatic toxicity (LD50, LC50)

HENRYWIN - estimates Henry's law constant

HYDROWIN - estimates aqueous hydrolysis rates (acid-, base-catalyzed)

KOWWIN - estimates octanol-water partition coefficient

MPBPWIN - estimates melting pt, boiling pt, and vapor pressure

PCKOCWIN - estimates soil sorption coefficient (Koc)

WSKOWWIN - estimates water solubility

The individual programs do not require the EPIWIN program itself to run. The EPIWIN program is designed specifically to execute the ten programs and capture their output. The EPIWIN interface program is a convenience for users because it automatically executes each program in succession without user interaction. In addition, the interface program executes the WVOLWIN (Volatilization Rate from Water Model), STPWIN (Sewage Treatment Plant Fugacity Model), and LEV3EPI (Level III Fugacity Model) programs by transferring the Molecular Weight, the Henry's Law Constant, log octanol-water partition coefficient and various volatilization parameters to WVOLWIN. STPWIN and LEV3EPI. Any of the estimation programs (with the exception of STPWIN, WVOLWIN and LEV3EPI) can be run by themselves. These are the same estimation programs that are available from Syracuse Research Corporation on an individual basis! The DERMWIN Program (dermal permeability coefficient) is also included with the EPI installation, but it must be run as an individual program.

The STPWIN program is a version of the Toronto Model originally developed by Donald Mackay at the University of Toronto (Clark et al., 1995; Environ. Sci. Technol. 29: 1488-1494). The WVOLWIN program is based upon the methodology outlined in Chapter 15 of W.J. Lyman's book "Handbook of Chemical Property Estimation Methods" (Lyman et al., 1990). The Level III Fugacity Model is described in recent journal articles (Mackay et al. 1996; Environ. Toxicol. Chem. 15(9): 1618-1626 and Environ. Toxicol. Chem. 15(9): 1627-1637); the Level III model incorporated into EPIWIN is a Syracuse Research Corporation adaptation of this methodology.

The WVOL program estimates the volatilization half-lives from a model river and lake using the methodology from the Handbook of Chemical Property Estimation Methods (Lyman, WJ., Reehl, WF., and Rosenblatt, DH., American Chemical Society, 1990) Estimation Handbook (adsorption to suspended solids and sediments is ignored). The user can input an experimental water solubility, vapor pressure, or Henry's Law constant or EPI will automatically estimate a Henry's Law Constant from SRC's Henry program for this calculation. The STP program models the amount of loss by volatilization, adsorption to sludge, and biodegradation (default of the latter is no biodegradation, but this can be user adjusted). Experimental log Kow values and Henry's Law constants can be entered by the user or EPI will automatically estimate values.

Example Entry Window and Results

The newest version of EPI runs under Windows (3.1, 95, 98, 2000, NT). Methods for chemical structure input now support SMILES notations as well as chemical structures produced in popular chemical drawing programs. Enhanced features of the Windows version include batch-mode data entry and user functions.

NOTE: The EPIWIN program is available only as part of the EPI Suite. The EPI Suite includes ALL estimation programs. Pricing for the EPI Suite represents a substantial savings as compared to individual purchase of all programs. In addition, the STP model, water volatilization model, EPI interface program, and Level III fugacity model are included. Customers that purchase (or have purchased) individual programs can upgraded to the EPI Suite... call Bill Meylan at (315)452-8421 for upgrade pricing!