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Modeling computer-aided

Raevsky, O. A., Skvortsov, V. S. 3D hydrogen bond thermodynamics (HYBOT) potentials in molecular modeling. /. Comput.-Aided Mol. Des. 2002, 16,... [Pg.152]

Golbraikh, A., Shen, M., Xiao, Z., Xiao, Y.-D., Lee, K.-H. and Tropsha, A. (2003) Rational selection of training and test sets for the development of validated QSAR models./. Computer-Aided Mol. Design, 17, 241. [Pg.273]

MOLECULAR MODELING (COMPUTER-AIDED DRUG DESIGN)... [Pg.27]

Quantitative Structure Activity Relationships (QSAR) and Modeling Society. URL http //www.ndsu.nodak.edu/qsar soc/index.htm. Classical QSAR, multivariate statistical modeling, molecular modeling, computer-aided drug design, and environmental chemistry. [Pg.37]

Doytchinova, LA., Walshe, V., Borrow, P. and Flower, D.R. (2005) Towards the chemometric dissection of peptide—HLA-A 0201 binding affinity comparison of local and global QSAR models. /. Comput. Aid. Mol. Des., 19, 203-212. [Pg.1026]

Murray, C.W., Auton, T.R. and Eldridge, M.D. (1998) Empirical scoring functions. 11. The testing of an empirical scoring function for the prediction of ligand-receptor binding affinities and the use of Bayesian regression to improve the quality of the model./. Comput. Aid. Mol. Des., 12, 503-519. [Pg.1127]

Also see Hehre, W.J. Pau, C.F. Hout Jr., R.F. Fraud, M.M. Molecular Modeling - Computer Aided Descriptions of Molecular Structure and Reactivity, Wiley, New York, 1987. [Pg.1045]

Rocheleau DN, Lee K (1987) System for interactive assembly modelling. Comput Aided Des 19(2) 65-72... [Pg.967]

Yu Z, Wong H-S, Peng H, Ma Q (2010) ASM an adaptive simplification method for 3D point-based models. Comput Aided Des 42(7) 598-612... [Pg.1068]

Baur R., Taylor R. and Krishna R. (2001c). Dynamics of a reactive distillation column for TAME synthesis described by a nonequilibrium stage model. Computer-Aided Chemical Engineering 9, 93-98. 2.9.3, 4.3, 7.2.9, 7.4... [Pg.232]

Dr Patrick Hanratty, Demolishing myths about solid modeling % Computer-Aided Engineering, January/February, 1983. [Pg.215]

Salmi, T., WarnJ, J., Mikkola, J.-R, Aumo, J., Ronnholm, M., and Kuusisto, J., Residence time distributions from CFD in monolith reactors—combination of avant-garde and classical modelling, Comput. Aided Chem. Eng., 14,905-910,2003. [Pg.371]

See other pages where Modeling computer-aided is mentioned: [Pg.39]    [Pg.455]    [Pg.131]    [Pg.246]    [Pg.320]    [Pg.1048]    [Pg.1148]    [Pg.696]    [Pg.409]    [Pg.2702]    [Pg.165]    [Pg.323]    [Pg.602]    [Pg.348]    [Pg.158]    [Pg.439]   
See also in sourсe #XX -- [ Pg.2 ]

See also in sourсe #XX -- [ Pg.2 ]



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