EPI Suite

In a study by Andersson et al. [30], the possibilities to use quantitative structure-activity relationship (QSAR) models to predict physical chemical and ecotoxico-logical properties of approximately 200 different plastic additives have been assessed. Physical chemical properties were predicted with the U.S. Environmental Protection Agency Estimation Program Interface (EPI) Suite, Version 3.20. Aquatic ecotoxicity data were calculated by QSAR models in the Toxicity Estimation Software Tool (T.E.S.T.), version 3.3, from U.S. Environmental Protection Agency, as described by Rahmberg et al. [31]. To evaluate the applicability of the QSAR-based characterization factors, they were compared to experiment-based characterization factors for the same substances taken from the USEtox organics database [32], This was done for 39 plastic additives for which experiment-based characterization factors were already available. 

Syracuse Research Corporation s EPI suite of software that includes the... 

Table 1 Physico-chemical properties of synthetic pyrethroids by the USEPA EPI-Suite program... 

US EPA 2003, Estimation Program Interface (EPI) Suite. Version 3.11 U.S. Envirorrmental Protection Agency http //www.epa.gov/opptintr/exposure/docs/episuite.htm (accessed on November, 2004). 

Epi suite program available at the website (accessed 28 Oct 2011) http //www.epa.gov/oppt/ exposure/pubs/episuite.htm... 

EPA Estimation Program Interface (EPI) Suite. Estimation for octanol-water partition... 

EPI Suite looks at physical and chemical properties and environmental fate estimation models developed by the EPA. ... 

EPI Suite www. epa. gov/oppt / exposure/pubs/episuite.htm Software suite for calculating physicochemical, fate and transport properties... 

US Environmental Protection Agency. EPI Suite v 4.5, (2010) http //www.epa. gov/oppt/exposure/pubs/episuitedl.htm (last accessed 24 March 2010). 

The newest biodegradation models in EPI Suite are BioHCwin and BIOWIN7. BioHCwin is a separate program from BIOWIN and estimates the logarithm of the... 

Organophosphates r2 = 0.92-0.98 Various equations for different chemical classes - neutral or basic rate constants -see HYDROWIN help in the EPI Suite program... 

Predicted using battery method IF the BIOWIN3 (ultimate survey model) result is weeks or faster (i.e., days , days to weeks , or weeks AND the BIOWIN5 (MITI linear model) probability is > 0.5, then the prediction is RB (readily biodegradable). If this condition is not satisfied, the prediction is NRB (not readily biodegradable). BIOWIN3 and -5 are in the BIOWIN program v4.10 (in EPI Suite v4.00). See Section 16.3.3. 

Table 16.5 Atmospheric oxidation and chemical hydrolysis of selected antiseptics and disinfectants, estimated by AOPWIN and HYDROWIN from EPI Suite.

Within the USEPA s EPI Suite, descriptions of basic physical-chemical properties for 2,4-dichloroaniline (DCA CAS No. 554007), pentachlorophenol (PCP CAS No. 87865), nonylphenol (NP CAS No. 104405), and linear alkylbenzenesulfonate (C12 LAS CAS No. 25155300) were obtained using the EPI Suite (Table 3.1), whereas acute and chronic toxicity estimates for the median effective and chronic effect concentrations (the geometric mean between chronic lowest-observed-effect concentration [LOEC] and no-observed-effect concentration [NOEC]) and for fish, daphnids, and algae for each substance were estimated from ECOSAR (Table 3.2). These compounds were chosen based on their widespread use. 

Physical and chemical characteristics estimated from the USEPA s EPI Suite for 4 materials3... 

Denmark, and the Danish Environmental Protection Agency (DK-EPA), is one of the leading countries in terms of considering the pros and cons to environmental (Q)SARs. It published an advisory list for self-classification of potentially hazardous substances based on predictions from (Q)SAR models (among these the EPI Suite) on hazards to the aquatic environments and human health risks. A total of 46707 existing substances were examined, identifying 20624 substances that, according to... 

US Environmental Protection Agency [USEPA], Office of Prevention, Pesticides and Toxic Substances. 2007. EPI suite 3.12. http //www.epa.gov/oppt/exposure/docs/episuitedl. 

BCFs were estimated using EPI Suite s BCFWin program (http //www.epa.gov/oppt/exposure/docs/episuitedl.htm). BCFs were estimated from the log octanol-water partition coefficient (log KoW) and a series of structural correction factors (Meylan et al., 1999). The ITC uses BCFs of >1,000 and > 5,000 to screen chemicals for bioconcentration potential. Chemicals with 1000 < BCF < 5,000 are assigned a medium (M) bioconcentration potential. Chemicals with BCF > 5,000 are assigned a high (H) bioconcentration potential (cf. Table 1). 

The EPI Suite is a collection of QSAR models for physical chemical and toxicity endpoint developed by the EPA s office of Pollution Prevention Toxics and Syracuse Research Corporation (EPI 2000). 

Characteristic travel distance Environmental bioaccumulation potential Electron-capture negative ion mass spectrometry Estimation programs interface (EPI) suite European... 

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