Enhancing the Hit-to-Lead Properties of Lead Optimization Libraries
暂无分享,去创建一个
[1] George W. A. Milne,et al. Discovery of novel, non-peptide HIV-1 protease inhibitors by pharmacophore searching. , 1996, Journal of medicinal chemistry.
[2] Sung Jin Cho,et al. Rational Combinatorial Library Design. 2. Rational Design of Targeted Combinatorial Peptide Libraries Using Chemical Similarity Probe and the Inverse QSAR Approaches , 1998, J. Chem. Inf. Comput. Sci..
[3] U Norinder,et al. Theoretical calculation and prediction of brain-blood partitioning of organic solutes using MolSurf parametrization and PLS statistics. , 1998, Journal of pharmaceutical sciences.
[4] Jonathan Boyd,et al. The three-dimensional structure of the tenth type III module of fibronectin: An insight into RGD-mediated interactions , 1992, Cell.
[5] D. E. Clark,et al. Rapid calculation of polar molecular surface area and its application to the prediction of transport phenomena. 2. Prediction of blood-brain barrier penetration. , 1999, Journal of pharmaceutical sciences.
[6] F. Lombardo,et al. Computation of brain-blood partitioning of organic solutes via free energy calculations. , 1996, Journal of medicinal chemistry.
[7] J R Chretien,et al. Estimation of blood-brain barrier crossing of drugs using molecular size and shape, and H-bonding descriptors. , 1998, Journal of drug targeting.
[8] D C Spellmeyer,et al. Measuring diversity: experimental design of combinatorial libraries for drug discovery. , 1995, Journal of medicinal chemistry.
[9] B. Judkins,et al. Fibrinogen receptor antagonists: design and clinical applications. , 1999, Progress in medicinal chemistry.
[10] Harpreet S. Chadha,et al. Hydrogen bonding. 33. Factors that influence the distribution of solutes between blood and brain. , 1994, Journal of pharmaceutical sciences.
[11] S. Stanley Young,et al. Approaches to the design of combinatorial libraries , 1999 .
[12] D R Flower,et al. Lead generation using pharmacophore mapping and three-dimensional database searching: application to muscarinic M(3) receptor antagonists. , 1999, Journal of medicinal chemistry.
[13] E Ruoslahti,et al. Crystal structure of the tenth type III cell adhesion module of human fibronectin. , 1994, Journal of molecular biology.
[14] Harold P. Erickson,et al. 2.0 Å Crystal Structure of a Four-Domain Segment of Human Fibronectin Encompassing the RGD Loop and Synergy Region , 1996, Cell.
[15] Juan M. Luco,et al. Prediction of the Brain-Blood Distribution of a Large Set of Drugs from Structurally Derived Descriptors Using Partial Least-Squares (PLS) Modeling , 1999, J. Chem. Inf. Comput. Sci..
[16] John Bradshaw,et al. The Effectiveness of Reactant Pools for Generating Structurally-Diverse Combinatorial Libraries , 1997, J. Chem. Inf. Comput. Sci..
[17] David Weininger,et al. SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules , 1988, J. Chem. Inf. Comput. Sci..
[18] H. Kubinyi,et al. A scoring scheme for discriminating between drugs and nondrugs. , 1998, Journal of medicinal chemistry.
[19] Stephen D. Pickett,et al. Diversity Profiling and Design Using 3D Pharmacophores: Pharmacophore-Derived Queries (PDQ) , 1996, J. Chem. Inf. Comput. Sci..
[20] Abdelazize Laoui,et al. DIVSEL and COMPLIB - Strategies for the Design and Comparison of Combinatorial Libraries using Pharmacophoric Descriptors , 1998, J. Chem. Inf. Comput. Sci..
[21] John M. Barnard,et al. Clustering of chemical structures on the basis of two-dimensional similarity measures , 1992, J. Chem. Inf. Comput. Sci..
[22] David A. Cheresh,et al. Recent advances in cell adhesion molecules and extracellular matrix proteins: potential clinical implications , 1997 .
[23] Brian Hudson,et al. Strategic Pooling of Compounds for High-Throughput Screening , 1999, J. Chem. Inf. Comput. Sci..
[24] Doros N. Theodorou,et al. Analytical treatment of the volume and surface area of molecules formed by an arbitrary collection of unequal spheres intersected by planes , 1991 .
[25] Tad Hurst,et al. Flexible 3D searching: The directed tweak technique , 1994, J. Chem. Inf. Comput. Sci..
[26] S. Hirono,et al. Simple Method of Calculating Octanol/Water Partition Coefficient. , 1992 .
[27] Richard A. Lewis,et al. Selective endothelin A receptor ligands. 1. Discovery and structure-activity of 2,4-disubstituted benzoic acid derivatives , 1997 .
[28] N. W. Murrall,et al. Conformational freedom in 3-D databases. 1. Techniques , 1990, J. Chem. Inf. Comput. Sci..
[29] Ajay,et al. Can we learn to distinguish between "drug-like" and "nondrug-like" molecules? , 1998, Journal of medicinal chemistry.
[30] James A. Platts,et al. Estimation of Molecular Linear Free Energy Relation Descriptors Using a Group Contribution Approach , 1999, J. Chem. Inf. Comput. Sci..
[31] John Bradshaw,et al. Identification of Biological Activity Profiles Using Substructural Analysis and Genetic Algorithms , 1998, J. Chem. Inf. Comput. Sci..
[32] Gareth Jones,et al. Pharmacophoric pattern matching in files of three-dimensional chemical structures: Comparison of conformational-searching algorithms for flexible searching , 1994, J. Chem. Inf. Comput. Sci..
[33] M. Kansy,et al. Hydrogen-Bonding Capacity and Brain Penetration , 1992, Chimia (Basel).
[34] J. Mason,et al. New 4-point pharmacophore method for molecular similarity and diversity applications: overview of the method and applications, including a novel approach to the design of combinatorial libraries containing privileged substructures. , 1999, Journal of medicinal chemistry.
[35] 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.
[36] Thomas E. Moock,et al. Conformational searching in ISIS/3D databases , 1994, J. Chem. Inf. Comput. Sci..
[37] D. E. Clark. Rapid calculation of polar molecular surface area and its application to the prediction of transport phenomena. 1. Prediction of intestinal absorption. , 1999, Journal of pharmaceutical sciences.
[38] Robert P. Sheridan,et al. Using a Genetic Algorithm To Suggest Combinatorial Libraries , 1995, J. Chem. Inf. Comput. Sci..
[39] Alan H. Lipkus,et al. Similarity searching on CAS Registry substances. 2. 2D structural similarity , 1994, J. Chem. Inf. Comput. Sci..