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Method and system for artificial intelligence directed lead discovery through multi-domain clustering

IPC분류정보
국가/구분 United States(US) Patent 등록
국제특허분류(IPC7판)
  • G06N-007/00
출원번호 US-0506948 (2000-02-18)
발명자 / 주소
  • Nicolaou, Christodoulos A.
  • Kelley, Brian P.
  • Nutt, Ruth F.
  • Bassett, Susan I.
출원인 / 주소
  • Bioreason, Inc.
인용정보 피인용 횟수 : 28  인용 특허 : 11

초록

A system for analyzing a vast amount of data representative of chemical structure and activity information and concisely providing conclusions about structure-to-activity relationships. A computer may adaptively learn new substructure descriptors based on its analysis of the input data. The computer

대표청구항

1. A method for screening a set of molecules, in order to assist in identifying sets of molecular features that are likely to correlate with specified activity, each molecule having a feature characteristic and an activity characteristic, the method comprising, in combination:(a) with respect to the

이 특허에 인용된 특허 (11)

  1. Bickel Michael A. (R.R. 1 ; Box 1005 Dickinson TX 77539), Adaptive fast fuzzy clustering system.
  2. Jang Ben Kwei, Automated method and system for image segmentation in digital radiographic images.
  3. Cramer ; III Richard D. (St. Louis MO) Wold Svante B. (Winchester MA), Comparative molecular field analysis (COMFA).
  4. Cramer ; III Richard D. (4100 Laclede Avenue ; #314 St. Louis MO 63108) Wold Svante B. (3326A Gullsj\ ; S-9110 Vnns SEX), Comparative molecular field analysis (CoMFA).
  5. Schwartz David C., Image processing and analysis of individual nucleic acid molecules.
  6. MacCuish, John D.; Nicolaou, Christodoulos A., Method and system for artificial intelligence directed lead discovery though multi-domain agglomerative clustering.
  7. Liang Jie ; Edelsbrunner Herbert, Molecular classification for property prediction.
  8. Hurst John Robert ; Heritage Trevor William, Molecular hologram QSAR.
  9. Caid William R. (San Diego CA) Oing Pu (La Costa CA), System and method of context vector generation and retrieval.
  10. Agrafiotis Dimitris K. (Exton PA) Bone Roger F. (Bridgewater NJ) Salemme Francis R. (Kennett Square PA) Soll Richard M. (Lawrenceville NJ), System, method, and computer program for at least partially automatically generating chemical compounds having desired p.
  11. Ornstein Leonard (White Plains NY), Unsupervised neural network classification with back propagation.

이 특허를 인용한 특허 (28)

  1. Shapiro,Bruce E.; Mjolsness,Eric D.; Levchenko,Andre, Automated methods for simulating a biological network.
  2. Yuta, Koutarou, Compound property prediction apparatus, property prediction method, and program for implementing the method.
  3. Kasif,Simon; Logan,Beth T.; Moreno,Pedro J.; Suzek,Baris, Computer method and apparatus for uniform representation of genome sequences.
  4. Cho, Raymond J.; Chen, Richard O.; Felciano, Ramon M.; Richards, Daniel R., Computerized knowledge representation system with flexible user entry fields.
  5. Cho, Raymond J.; Chen, Richard O.; Felciano, Ramon M.; Richards, Daniel R., Constructing and maintaining a computerized knowledge representation system using fact templates.
  6. Ikeda,Hitoshi; Kato,Noriji; Kashimura,Hirotsugu, Data classifier for classifying pattern data into clusters.
  7. Ikeda,Hitoshi; Kato,Noriji; Kashimura,Hirotsugu, Data classifier using learning-formed and clustered map.
  8. Wolf, Kenneth David; Pinto, Edmund S. V.; Schmidt, Robert B.; Talbert, Nathan C.; Millet, Stephen J.; Box, Donald F., Data scoping and data flow in a continuation based runtime.
  9. Chen, Richard O.; Cho, Raymond J.; Felciano, Ramon M.; Holley, Bret; Patel, Viresh; Richards, Daniel R.; Selvarajan, Sushma; Steward, Keith; Schneider, Sara, Drug discovery methods.
  10. Chen, Richard O.; Cho, Raymond J.; Felciano, Ramon M.; Holley, Bret; Patel, Viresh; Richards, Daniel R.; Selvarajan, Sushma; Steward, Keith; Schneider, Sara Tanenbaum, Drug discovery methods.
  11. Chen, Richard O.; Cho, Raymond J.; Felciano, Ramon M.; Holley, Brett; Patel, Viresh; Richards, Daniel R.; Selvarajan, Sushma; Steward, Keith; Schneider, Sara Tanenbaum, Drug discovery methods.
  12. Aguera y Arcas, Blaise, Efficient data cache.
  13. Lambert, Christophe Gerard, Fast computer data segmenting techniques.
  14. Aguera y Arcas, Blaise, Method for encoding and serving geospatial or other vector data as images.
  15. Furusho, Shinji, Method for handling tree-type data structure, information processing device, and program.
  16. Ausubel, Frederick M.; Lewis, Kim; Moy, Terence I.; Gopalan, Suresh, Methods for screening antimicrobial and antiviral compounds and uses thereof.
  17. Cho, Raymond J.; Chen, Richard O.; Felciano, Ramon M.; Richards, Daniel R., Methods for the construction and maintenance of a knowledge representation system.
  18. Mount, John A.; Sarwar, Badrul M., Multi-pass data organization and automatic naming.
  19. Yaginuma,Yoshinori, Prediction analysis apparatus and program storage medium therefor.
  20. Luo,Yun, Subclass partitioning in a pattern recognition classifier for controlling deployment of an occupant restraint system.
  21. Aguera Y Arcas, Blaise, System and method for exact rendering in a zooming user interface.
  22. Sridharan,Sriram, System and method for graphically displaying relationships among sets of descriptors.
  23. Zhao, Ying; Zhou, Charles C., System and method for knowledge pattern search from networked agents.
  24. Lundgren, Lars, System, method, and computer program product for property violation comprehension.
  25. Jackson, Peter; Al-Kofahi, Khalid, System, method, and software for identifying historically related legal cases.
  26. Jackson, Peter; Al Kofahi, Khalid, System, method, and software for identifying historically related legal opinions.
  27. Jackson, Peter; Al Kofahi, Khalid, System, method, and software for identifying historically related legal opinions.
  28. Cho, Raymond J.; Chen, Richard O.; Felciano, Ramon M.; Richards, Daniel R.; Norman, Philippa, Techniques for facilitating information acquisition and storage.
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