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Computers & Chemistry|May 18, 2000
Nonlinear regression in parameter estimation from polarographic signalsPais, Pereira, RedinhaComputers & Chemistry|October 19, 2002
Fuzzy logic model of Langmuir probe discharge dataByungwhan Kim, Jang Hyun Park, Beom-Soo KimComputers & Chemistry|October 19, 2002
A new redundant variable pruning approach--minor latent variable perturbation-PLS used for QSAR studies on anti-HIV drugsHong-Ping Xie, Jian-Hui Jiang, Hui Cui, et al.Computers & Chemistry|October 19, 2002
On the solution of mixed-integer nonlinear programming models for computer aided molecular designGuennadi M Ostrovsky, Luke E K Achenie, Manish SinhaComputers & Chemistry|October 19, 2002
CLiBE: a database of computed ligand binding energy for ligand-receptor complexesX Chen, Z L Ji, D G Zhi, et al.Computers & Chemistry|October 19, 2002
Constructing a useful tool for characterizing amino acid conformers by means of quantum chemical and graph theory indicesConstanza Cárdenas, Mateo Obregón, Eugenio-José Llanos, et al.Computers & Chemistry|February 24, 2001
Prediction of programmed-temperature retention values of naphthas by wavelet neural networksX Zhang, J Qi, R Zhang, et al.Computers & Chemistry|February 24, 2001
Evaluation of Spartan semi-empirical molecular modeling software for calculations of molecules on surfaces: CO adsorption on Ni(111)T Y Zakharian, S R CoonComputers & Chemistry|February 24, 2001
ChromWin--a computer program for the determination of enantiomerization barriers in dynamic chromatographyO Trapp, V SchurigComputers & Chemistry|July 13, 2000
Computer based generation of reaction mechanisms for gas-phase oxidationWarth, Battin-Leclerc, Fournet, et al.Pageof 27