Combinatorial Library Design Using a Multiobjective Genetic Algorithm
暂无分享,去创建一个
Peter J. Fleming | Darren V. S. Green | Peter Willett | Valerie J. Gillet | Wael Khatib | P. Fleming | P. Willett | V. Gillet | W. Khatib | D. Green
[1] Peter J. Fleming,et al. Genetic Algorithms for Multiobjective Optimization: FormulationDiscussion and Generalization , 1993, ICGA.
[2] Robert P. Sheridan,et al. Using a Genetic Algorithm To Suggest Combinatorial Libraries , 1995, J. Chem. Inf. Comput. Sci..
[3] D C Spellmeyer,et al. Measuring diversity: experimental design of combinatorial libraries for drug discovery. , 1995, Journal of medicinal chemistry.
[4] Peter J. Fleming,et al. An Overview of Evolutionary Algorithms in Multiobjective Optimization , 1995, Evolutionary Computation.
[5] Stephen D. Pickett,et al. Partition-based selection , 1996 .
[6] Peter Willett,et al. Computational methods for the analysis of molecular diversity , 1996 .
[7] P Willett,et al. Development and validation of a genetic algorithm for flexible docking. , 1997, Journal of molecular biology.
[8] Dimitris K. Agrafiotis,et al. Stochastic Algorithms for Maximizing Molecular Diversity , 1997, J. Chem. Inf. Comput. Sci..
[9] John Bradshaw,et al. The Effectiveness of Reactant Pools for Generating Structurally-Diverse Combinatorial Libraries , 1997, J. Chem. Inf. Comput. Sci..
[10] A. Good,et al. New methodology for profiling combinatorial libraries and screening sets: cleaning up the design process with HARPick. , 1997, Journal of medicinal chemistry.
[11] Y. Martin,et al. Designing combinatorial library mixtures using a genetic algorithm. , 1997, Journal of medicinal chemistry.
[12] Johann Gasteiger,et al. Superposition of Three-Dimensional Chemical Structures Allowing for Conformational Flexibility by a Hybrid Method , 1998, J. Chem. Inf. Comput. Sci..
[13] Darren V. S. Green,et al. Selecting Combinatorial Libraries to Optimize Diversity and Physical Properties , 1999, J. Chem. Inf. Comput. Sci..
[14] Roger E. Critchlow,et al. Beyond mere diversity: tailoring combinatorial libraries for drug discovery. , 1999, Journal of combinatorial chemistry.
[15] Darren V. S. Green,et al. Implementation of a System for Reagent Selection and Library Enumeration, Profiling, and Design , 1999, J. Chem. Inf. Comput. Sci..
[16] Marvin Waldman,et al. Evaluation of Reagent-Based and Product-Based Strategies in the Design of Combinatorial Library Subsets , 2000, J. Chem. Inf. Comput. Sci..
[17] R P Sheridan,et al. Designing targeted libraries with genetic algorithms. , 2000, Journal of molecular graphics & modelling.
[18] Carlos A. Coello Coello,et al. An updated survey of GA-based multiobjective optimization techniques , 2000, CSUR.
[19] Robert D. Brown,et al. Combinatorial library design for diversity, cost efficiency, and drug-like character. , 2000, Journal of molecular graphics & modelling.
[20] Valler,et al. Diversity screening versus focussed screening in drug discovery. , 2000, Drug discovery today.
[21] D K Agrafiotis,et al. Kolmogorov-Smirnov statistic and its application in library design. , 2000, Journal of molecular graphics & modelling.
[22] G. Seibel,et al. PICCOLO: a tool for combinatorial library design via multicriterion optimization. , 1999, Pacific Symposium on Biocomputing. Pacific Symposium on Biocomputing.
[23] Valerie J. Gillet,et al. Evaluation of reactant-based and product-based approaches to the design of combinatorial libraries , 2000 .
[24] G. Schneider,et al. Virtual Screening for Bioactive Molecules , 2000 .
[25] Darren V. S. Green,et al. PLUMS: a Program for the Rapid Optimization of Focused Libraries , 2000, J. Chem. Inf. Comput. Sci..
[26] F. Lombardo,et al. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. , 2001, Advanced drug delivery reviews.
[27] Peter Willett,et al. Designing focused libraries using MoSELECT. , 2002, Journal of molecular graphics & modelling.
[28] Philip M. Dean,et al. Molecular diversity in drug design , 2002 .