Rapid evaluation of prediction methods with DIPPR's automated property prediction package

International Journal of Thermophysics

Volumn 28, Issue 3, 2007, Pages 824-834

  Rowley, J R ^a   Wilding, W V ^a   Oscarson, J L ^a   Rowley, R L ^a  

^a Brigham Young University   (United States)

Author keywords

Automated; DIPPR; Estimation; Prediction; Property; SMILES

Indexed keywords

DIPPR'S AUTOMATED PROPERTY PREDICTION PACKAGE; PREDICTION METHODS; SMILES;

AUTOMATION; DATABASE SYSTEMS; FORECASTING; MOLECULAR STRUCTURE; PARAMETER ESTIMATION;

SOFTWARE PACKAGES;

EID: 34548674500     PISSN: 0195928X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10765-007-0224-9     Document Type: Article

References (9)

1. http://www.daylight.com, Daylight Chemical Information Systems, Inc. (2005)
2. D. Ambrose, Vapor-Liquid Critical Properties (National Physical Laboratory Report Chem 107, NPL, Middlesex, United Kingdom, 1980)
3. D. Ambrose, Correlation and Estimation of Vapour-Liquid Critical Properties: I. Critical Temperatures of Organic Compounds (National Physical Laboratory Report Chem. 92, NPL, Middlesex, United Kingdom, 1978)
4. K.G. Joback, M. S. Thesis in Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts (1984)
5. A.L. Lydersen, Estimation of Critical Properties of Organic Compounds (University of Wisconsin Coll. Eng. Exp. Stn. Rep. 3, Madison, Wisconsin, 1955)
6. C, Estimation based on Zero, First and Second Order Methods (AIChE Spring Meeting, New Orleans, Louisiana, 1996)
7. Ericksen D., Wilding W.V., Oscarson J.L., Rowley R.L. (2002). J. Chem. Eng. Data 47: 1293
8. Lyman W.J., Reehl W.F., Rosenblatt D.H. (1982). Handbook of Chemical Property Estimation Methods. McGraw-Hill, New York
9. Stein S.E., Brown R.L. (1994). J. Chem. Inf. Comp. Sci. 34, 581