Discovery informatics: its evolving role in drug discovery.
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[1] Laura M. Haas,et al. DiscoveryLink: A system for integrated access to life sciences data sources , 2001, IBM Syst. J..
[2] G.E. Moore,et al. Cramming More Components Onto Integrated Circuits , 1998, Proceedings of the IEEE.
[3] J M Blaney,et al. Computational approaches for combinatorial library design and molecular diversity analysis. , 1997, Current opinion in chemical biology.
[4] Christian Lemmen,et al. Computational methods for the structural alignment of molecules , 2000, J. Comput. Aided Mol. Des..
[5] Singh,et al. Quantitative structure-property relationships in pharmaceutical research - Part 1. , 2000, Pharmaceutical science & technology today.
[6] David C. Spellmeyer,et al. Chapter 28. Recent Developments in Molecular Diversity: Computational Approaches to Combinatorial Chemistry , 1999 .
[7] Grover,et al. Quantitative structure-property relationships in pharmaceutical research - Part 2. , 2000, Pharmaceutical science & technology today.
[8] Robert P. Sheridan,et al. Flexibases: A way to enhance the use of molecular docking methods , 1994, J. Comput. Aided Mol. Des..
[9] D. Underwood,et al. Advances in automated docking applied to human immunodeficiency virus type 1 protease. , 1994, Methods in Enzymology.
[10] Jennifer L. Miller,et al. Combinatorial Library Design: Maximizing Model-Fitting Compounds within Matrix Synthesis Constraints , 2000, J. Chem. Inf. Comput. Sci..
[11] Shivakumar Vaithyanathan,et al. Model Selection in Unsupervised Learning with Applications To Document Clustering , 1999, International Conference on Machine Learning.
[12] E. Fluder,et al. Latent semantic structure indexing (LaSSI) for defining chemical similarity. , 2001, Journal of medicinal chemistry.
[13] Robert P. Sheridan,et al. Chemical Similarity Using Geometric Atom Pair Descriptors , 1996, J. Chem. Inf. Comput. Sci..
[14] F. Lombardo,et al. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings , 1997 .
[15] P. Beroza,et al. A rapid computational method for lead evolution: description and application to alpha(1)-adrenergic antagonists. , 2000, Journal of medicinal chemistry.
[16] John M. Barnard,et al. Clustering of chemical structures on the basis of two-dimensional similarity measures , 1992, J. Chem. Inf. Comput. Sci..
[17] Robert D. Brown. Descriptors for diversity analysis , 1996 .
[18] Andrew Rusinko,et al. Optimization of focused chemical libraries using recursive partitioning. , 2002, Combinatorial chemistry & high throughput screening.
[19] Robert P. Sheridan,et al. Designing targeted libraries with genetic algorithms. , 2000, Journal of molecular graphics & modelling.
[20] R D Hull,et al. Chemical similarity searches using latent semantic structural indexing (LaSSI) and comparison to TOPOSIM. , 2001, Journal of medicinal chemistry.
[21] Robert P. Sheridan,et al. FLOG: A system to select ‘quasi-flexible’ ligands complementary to a receptor of known three-dimensional structure , 1994, J. Comput. Aided Mol. Des..
[22] Aris Floratos,et al. Combinatorial pattern discovery in biological sequences: The TEIRESIAS algorithm [published erratum appears in Bioinformatics 1998;14(2): 229] , 1998, Bioinform..
[23] Jianchang Mao,et al. Hierarchical Bayes for Text Classification , 2000, PRICAI Workshop on Text and Web Mining.
[24] R. Sheridan,et al. SQ: a program for rapidly producing pharmacophorically relevent molecular superpositions. , 1999, Journal of medicinal chemistry.