Computational approaches for combinatorial library design and molecular diversity analysis.
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[1] Stephen D. Pickett,et al. Diversity Profiling and Design Using 3D Pharmacophores: Pharmacophore-Derived Queries (PDQ) , 1996, J. Chem. Inf. Comput. Sci..
[2] Johnz Willett. Similarity and Clustering in Chemical Information Systems , 1987 .
[3] D C Spellmeyer,et al. Measuring diversity: experimental design of combinatorial libraries for drug discovery. , 1995, Journal of medicinal chemistry.
[4] Dimitris K. Agrafiotis,et al. Stochastic Algorithms for Maximizing Molecular Diversity , 1997, J. Chem. Inf. Comput. Sci..
[5] Marvin Johnson,et al. Concepts and applications of molecular similarity , 1990 .
[6] M. Goldstein,et al. Multivariate Analysis: Methods and Applications , 1984 .
[7] Y. Martin,et al. 3D database searching in drug design. , 1992, Journal of medicinal chemistry.
[8] Robert D Clark,et al. Bioisosterism as a molecular diversity descriptor: steric fields of single "topomeric" conformers. , 1996, Journal of medicinal chemistry.
[9] Yvonne C. Martin,et al. The Information Content of 2D and 3D Structural Descriptors Relevant to Ligand-Receptor Binding , 1997, J. Chem. Inf. Comput. Sci..
[10] James B. Dunbar,et al. Enhancing the diversity of a corporate database using chemical database clustering and analysis , 1995, J. Comput. Aided Mol. Des..
[11] Robert D Clark,et al. Neighborhood behavior: a useful concept for validation of "molecular diversity" descriptors. , 1996, Journal of medicinal chemistry.
[12] Gabriele Cruciani,et al. Experimental Design in Synthesis Planning and Structure‐Property Correlations , 1995 .
[13] Dora M. Schnur,et al. Use experimental design in organic synthesis , 1995 .
[14] A Difficulty Information Approach to Substituent Selection in QSAR Studies , 1985 .
[15] David E. Goldberg,et al. Genetic Algorithms in Search Optimization and Machine Learning , 1988 .
[16] David Chapman,et al. The measurement of molecular diversity: A three-dimensional approach , 1996, J. Comput. Aided Mol. Des..
[17] Robert P. Sheridan,et al. Using a Genetic Algorithm To Suggest Combinatorial Libraries , 1995, J. Chem. Inf. Comput. Sci..
[18] S. Unger. Consequences of the Hansch Paradigm for the Pharmaceutical Industry , 1980 .
[19] Yvonne C. Martin,et al. Use of Structure-Activity Data To Compare Structure-Based Clustering Methods and Descriptors for Use in Compound Selection , 1996, J. Chem. Inf. Comput. Sci..
[20] Paul S. Charifson,et al. Practical Application of Computer-Aided Drug Design , 1997 .