CTS Acronyms
| Acronym | Meaning |
|---|---|
| A-G | Arnot-Gobas method for determining bioconcentration factor in EPI Suite |
| API | Application Programming Interface |
| BAF | Bioaccumulation Factor |
| BCF | Bioconcentration Factor |
| BP | Boiling Point |
| CAS | Chemical Abstracts Service Number |
| CE | Chemical Editor |
| CS | Chemical Speciation |
| CSV | Comma-Separated Values |
| CTS | Chemical Transformation Simulator |
| d_ow | pH-Dependent Octanol/Water Distribution Coefficient |
| DTXSID | DSSTOX Substance Identifier |
| EPA | Environmental Protection Agency |
| EPI | Suite Estimation Program Interface |
| GC | Group Contribution |
| HC | Hierarchical Clustering |
| HTML | Hypertext Markup Language |
| ICP | Inherent Chemical Properties |
| InChIKey | International Chemical Identifier |
| IUPAC | International Union of Pure and Applied Chemistry |
| KLOP | Method for determining octanol/water partition coefficient in ChemAxon using Klopman et al. models (Klopman, G.; Li, Ju-Yun.; Wang, S.; Dimayuga, M., J.Chem.Inf.Comput.Sci., 1994, 34, 752) |
| Kow | Octanol/Water Partition Coefficient |
| MLR | Multiple Linear Regression |
| MP | Melting Point |
| MW | Molecular Weight |
| NCCT | National Center for Computational Toxicology |
| NN | Nearest Neighbor |
| OCSPP | Office of Chemical Safety and Pollution Prevention |
| OPPT | Office of Pollution Prevention and Toxics |
| PCP | Physicochemical Properties |
| Portable Document Format | |
| PHYS | Method for determining octanol/water partition coefficient in ChemAxon based on the PHYSPROP database |
| PHYSPROP | Database of 41,000 chemicals and their properties from SRC, Inc. bundled with EPI Suite |
| pKa | Acid Dissociation Constant |
| pKb | Base Dissociation Constant |
| PMN | Pre-Manufacturing Notification |
| QED | Quantitative Exposure Domain |
| QSAR | Quantitative Structure Activity Relationship |
| REG | Regression method for determining bioconcentration factor in EPI Suite |
| RPS | Reaction Pathway Simulator |
| SM | Single Model |
| SMILES | Simplified Molecular-Input Line-Entry System |
| TEST | Toxicity Estimation Software Tool |
| TSCA | Toxic Substances Control Act |
| VG | Method for determining octanol/water partition coefficient in ChemAxon derived from Viswanadhan et al. (Viswanadhan, V. N.; Ghose, A. K.; Revankar, G. R.; Robins, R. K., J. Chem. Inf. Comput. Sci., 1989, 29, 163-172) |
| VP | Vapor Pressure |
| WATERNT | Fragment-based QSAR model for determining water solubility in EPI Suite |
| WSKOW | QSAR model for determining water solubility in EPI Suite |