Boots – shoes – and leggings
Patent
1993-06-30
1995-07-18
Ramirez, Ellis B.
Boots, shoes, and leggings
364578, 395 13, G06F 1750, G06F 1518
Patent
active
054347963
ABSTRACT:
A method of and apparatus are disclosed for evolving successive populations of molecular structures and evaluating each evolved structure of each population with desired physical and/or theoretical properties. An initial population of molecules is provided in terms of representations of a number of member molecules. Evaluation is performed by a fitness function, which compares the initial population and evolved generations of member representations with the set of desired properties to provide a numerical measure or value of fitness for each structure. That numerical value indicates how closely the compared member representation corresponds with the set of desired properties. The next population is generated by changing the structure of selected molecules of a population dependent upon the numerical measure of fitness, and the process repeats. Subsequent populations evolve towards ever-better fitness. The process is terminated when an acceptable molecule evolves.
REFERENCES:
patent: 4473890 (1984-09-01), Araki
patent: 4697242 (1987-09-01), Holland et al.
patent: 4704692 (1987-11-01), Ladner
patent: 4811217 (1989-03-01), Tokizane et al.
patent: 4852017 (1989-07-01), Hunkapiller
patent: 4853871 (1989-08-01), Pantoliano et al.
patent: 4855931 (1989-08-01), Saunders
patent: 4881175 (1989-11-01), Ladner
patent: 4908773 (1990-03-01), Pantoliano et al.
patent: 4935877 (1990-06-01), Koza
patent: 4939666 (1990-07-01), Hardman
patent: 4961152 (1990-10-01), Davis
patent: 4982338 (1991-01-01), Fujita
patent: 5008831 (1991-04-01), Feldman
patent: 5023802 (1991-06-01), Fujita
patent: 5025388 (1991-06-01), Cramer, III et al.
patent: 5047929 (1991-10-01), Fujita
patent: 5048095 (1991-09-01), Bhanu et al.
patent: 5081584 (1992-01-01), Omichinski et al.
patent: 5136686 (1992-08-01), Koza
patent: 5148513 (1992-09-01), Koza et al.
patent: 5235523 (1993-08-01), Karen et al.
patent: 5260882 (1993-11-01), Blanco et al.
patent: 5265030 (1993-11-01), Skolnick et al.
patent: 5307287 (1994-04-01), Cramer, III et al.
patent: 5331573 (1994-07-01), Balaji et al.
patent: 5343554 (1994-08-01), Koza et al.
R. Carhart, et al., "Applications of Artificial Intelligence for Chemical Inference. XVII. An Approach to Computer-Assisted Elucidation of Molecular Structure", published in Journal of the American Chemical Society Oct. 1, 1975, pp. 5755-5762.
C. Hansch, "On the Stage of QSAR", published in Drug Information Journal, vol. 18, 1984, pp. 115-122.
P. Jurs, "Computer Assisted Studies of Structure-Activity Relations Using Pattern Recognition", published in Drug Information Journal, vol. 17, 1983, pp. 219-229.
D. Boyd, "Quantum Mechanics in Durg Design: Methods and Applications", published in Drug Information Journal 1983, vol. 17, pp. 121-131.
S. Unger, "Computer-Aided Drug Design in the Year 2000", published in Drug Information Journal, vol. 21, 1987, pp. 267-275.
S. Cost and S. Salzberg, "Exemplar-based Learning to Predict Protein Folding", 1990, SCAMC, Inc., pp. 114-118.
J. F. Brinkly, "Spatial Anatomic Knowledge for 2-D Interactive Medical Image Segmentation and Matching", 1992 AMIA, Inc., pp. 460-464.
K. W. Hahn, et al., "Design and Synthesis of a Peptide Having Chymotrypsin-Like Esterase Activity", published in Science, vol. 248, 22 Jun. 1990, pp. 1544-1546.
R. Carhart, et al., "Atom Pairs as Molecular Features in Structure-Activity Studies: Definition and Applications", published in J. Chem. Inf. Comput. Sci. 1985, pp. 64-72.
R. Nilakantan, et al., "Topological Torsion: A New Molecualr Descriptor for SAR Applicaitons. Comparison with Other Descriptors", published in J. Chem. Inf. Comput. Sci., vol. 27, No. 2, (1987), pp. 82-85.
R. L. DesJarlais, et al., "using Shape Complementarity as an Initial Screen in Designing Ligands for a Receptor Binding Site of Known Three-Demensional Structure", published in Journal of Medical Chemistry 1988, pp. 722-729.
R. Nikakantan et al., "Ring-Based Chemical Structural Query System" published in J. Chem. Inf. Comput. Sci vol. 30, No. 1, (1990), pp. 55-58.
M. Randic, "On Characterization of Molecualr Branching", published in Journal of the American Chemical Society, vol. 97, No. 23, Nov. 12, 1975, pp. 6609-6615.
R. A. Lewis & P. M. Dean, "Automated site-directed drug design: the concept of spacer skeletons for primary structure generation", Proc. R. Soc. London, B236, 1989, pp. 125-140.
P. P. Mager, "Computer-Assisted Series Design in Chemical Synthesis of Bioactive Compounds", published in Medicinal Research Reviews, vol. 11, No. 4, (1991), pp. 375-402.
J. P. Snyder, "Computer Assisted Drug Design. Part I. Condition in the 1980s", Medicinal Research Reviews, vol. 11, No. 6 (1991), pp. 641-662.
P. N. Craig, "QSAR-Origins and Present Status: A Historical Perspective", published in the Drug Information Journal, vol. 18, (1984), pp. 123-130.
G. M. Smith, et a l., "Intermolecular Modeling Methods in Drug Design/Modeling the Mechanism of Peptide Cleavage by Themolysin", published in Drug Information Journal, vol. 18 (1984), pp. 167-178.
Y. C. Martin & K. H. Kim, "Application of Theoretical Drug Design Methodology to a Series of Diuretics", pub. in Drug Information Journal vol. 18 (1984), pp. 93-113.
F. B. Winer, "Drug Design and the CAS OnLine Substructure Search System", published in Drug Information Journal, vol. 17, (1983), pp. 277-286.
T. Legatt & A. Saltzman, "Development of a Chemical Structure Display System and its Interface with the Associated Biological Database", published in Drug Information Journal, vol. 20 (1986), pp. 51-56.
S. Borman, "New 3-D Serach and De Novo Design Techniques Aid Drug Development", published in Chemical & Engineering News. Aug. 10, 1992, pp. 18-26.
M. A. Bedau & N. H. Packard, "Measurement of Evolutionary Activity, Teleology, and Life", published in Artificial Life II, SFI Studies in the Sciences of Complexity, vol. X (1991), pp. 431-461.
P. Schuster, "Complex Optimization in an Artificial RNA World", published in Artificial Life II, Studies in the Sciences of Complexity, vol. X, (1992), pp. 277-291.
R. Nilakantan et al., "Applications to Drug Discovery", Published in American Chemical Society (1991), pp. 527-530.
Daylight Chemical Information Systems, Inc.
Ramirez Ellis B.
Stamber Eric W.
LandOfFree
Method and apparatus for designing molecules with desired proper does not yet have a rating. At this time, there are no reviews or comments for this patent.
If you have personal experience with Method and apparatus for designing molecules with desired proper, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Method and apparatus for designing molecules with desired proper will most certainly appreciate the feedback.
Profile ID: LFUS-PAI-O-2421310