Model graph

Snarey M, Terrett NK, Willett P, Wilton DJ. Comparison of algorithms for dissimilarity-based compound selection. J Mol Graph Model 1997 15 372-85. 

Waldman M, Li H, Hassan M. Novel algorithms for the optimization of molecular diversity of combinatorial libraries. / Mo/ Graph Model 2000 18 412-26. 

Gillet VJ, Willett P, Fleming PJ, Green DV. Designing focnsed libraries using MoSELECT. /MoZ Graph Model 2002 20(6) 491-8. 

Cramer RD, Jilek RJ, Andrews KM. Dbtop topomer similarity searching of conventional structure databases. J Mol Graph Model 2002 20 447-62. 

Bnrsi R, de Gooyer ME, Grootenhuis A, Jacobs PL, van der Louw J, Leysen D. (Q)SAR stndy on the metabolic stability of steroidal androgens. J Mol Graph Modelling 2001 19 552-6. 

Matthews EJ, Benz RD, Contrera JF. Use of toxicological information in drug design. J Mol Graph Modell 2000 18 605-15. 

Clark RD et al. (2004) Modelling in vitro hepatotoxicity using molecular interaction fields and SIMCA. J Mol Graph Model 22(6) 487-497... 

Yap, C. W U, Z. R Chen, Y. Z. Quantitative strucmre-pharmacokinetic relationships for drug clearance by using statistical learning methods. /. Mol. Graph. Model. 2006, 24, 383-395. 

Winiwarter, S., Ax, F., Lennemas, H., Hallberg, A., Pettersson, C., Karlen, A. Hydrogen bonding descriptors in the prediction of human in vivo intestinal permeability. J. Mol. Graph. Model. 2003, 21, 273-287... 

J. Assessing the performance of OMEGA with respect to retrieving bioactive conformations. J. Mol. Graph. Model. 2003, 21, 449-462. 

Pedretti, A., Villa, L., Vistoli, G. VEGA a versatile program to convert, handle and visualize molecular struemre on Windows-based PGs.f. Mol. Graph. Model. 2002, 27, 47-49. 

Feig M, Karanicolas J, Brooks CL, III (2004) MMTSB tool set Enhanced sampling and multiscale modeling methods for applications in structure biology. J Mol Graph Model 22 377—395. 

Lopez, A Rodriguez de Lera, Schaftenaar G, Lopez X, Lee T, Karypis G, York DM (2006) J Mol Graph Model 25 423. 

Oprea, T. I., Gottfries, J., Toward minimalistic modeling of oral drug absorption, J. Mol. Graph. Model 1999, 27, 261-274, 329. 

Campagne, F. and Weinstein, H. (1999) Schematic representation of residue-based protein context-dependent data an application to transmembrane proteins. J. Mol. Graph. Model 17,207-213. 

Winiwarter S, Ax F, Lennernas H, Hallberg A, Pettersson C and Karlen A (2003) Hydrogen Bonding Descriptors in the Prediction of Human In Vivo Intestinal Permeability. J Mol Graph Model 21 pp 273-287. 

Winkler DA, Burden FR (2004) Modelling blood-brain barrier partitioning using Bayesian neural nets. J Mol Graph Model 22 499-505. 

Spellmeyee, D.C., Wong, A.K., Bower, M.J., and Bianey, J.M. Conformational analysis using distance geometry methods./. Mol. Graph. Model. 1997, 35, 18-36. 

---