Web‐Based Calculation of Molecular Properties
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[1] J. Gasteiger,et al. FROM ATOMS AND BONDS TO THREE-DIMENSIONAL ATOMIC COORDINATES : AUTOMATIC MODEL BUILDERS , 1993 .
[2] David Weininger,et al. SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules , 1988, J. Chem. Inf. Comput. Sci..
[3] Paul M. Selzer,et al. Cheminformatik und Data Warehousing: Forschen mit dem Intranet , 2000 .
[4] Peter Ertl,et al. WWW-based chemical information system , 1997 .
[5] P. Braquet,et al. Lipophilicity force field profile: an expressive visualization of the lipophilicity molecular potential gradient. , 1990, Journal of molecular graphics.
[6] N R Taylor,et al. The World Wide Web as a graphical user interface to program macros for molecular graphics, molecular modeling, and structure-based drug design. , 1996, Journal of molecular graphics.
[7] K. Luthman,et al. Correlation of drug absorption with molecular surface properties. , 1996, Journal of pharmaceutical sciences.
[8] P Ertl,et al. World Wide Web-based system for the calculation of substituent parameters and substituent similarity searches. , 1998, Journal of molecular graphics & modelling.
[9] A R Leach. Structure-based selection of building blocks for array synthesis via the World-Wide Web. , 1997, Journal of molecular graphics & modelling.
[10] P. Ertl. QSAR ANALYSIS THROUGH THE WORLD-WIDE WEB , 1998 .
[11] P. Selzer,et al. Fast calculation of molecular polar surface area as a sum of fragment-based contributions and its application to the prediction of drug transport properties. , 2000, Journal of medicinal chemistry.
[12] D. Manallack,et al. Theoretical hydrogen bonding parameters for drug design. , 2001, Journal of molecular graphics & modelling.
[13] D J Wild,et al. VisualiSAR: a web-based application for clustering, structure browsing, and structure-activity relationship study. , 1999, Journal of molecular graphics & modelling.