Mesa Logo Mesa Analytics & Computing, Inc.
Custom Data Mining Solutions
  • Home
  • News
  • Partners
  • Publications
  • About Mesa

Selected Publications

  1. J. Pinto, X. Qin, J. He, E. Pontelli, D. Bevan, N. MacCuish, J. MacCuish, M. Chapman, D. Moreland, "BIOPS Interactive: An e-learning platform focused on protein structure and DNA,BioScene, in press.
  2. N. E. MacCuish, J. D. MacCuish, “Clustering Compound Data: Asymmetric Clustering of Chemical Datasets”, Chemometrics and Cheminfomatics, ACS Symposium Series, Vol 894, ed. B. K. Lavine, Oxford University Press, 2005
  3. TJ O'Donnell; Norah E. MacCuish; J. D. MacCuish; "Virtual Classrooms and E-Learning: Bringing Cheminformatics Training Into Academic and Industrial Settings", ChemAxon 2005 User Group Meeting Proceedings, Budapest, Hungary, May 19th, 2005
  4. A.Nicholls; Norah E. MacCuish; J. D. MacCuish, “Variable Selection and Model Validation of 2D and 3D Molecular Descriptors”, Journal of Computer-Aided Molecular Design, 18, 2004, pp. 451-474
  5. J.D. MacCuish, C.A. Nicolaou, N.E. MacCuish, "Ties in Proximity and Clustering Compound Data", Journal of Chemical Information and Computer Science, Vol. 41 (1), 2001, pp. 134-146
  6. John D. MacCuish, Christos A. Nicolaou, Assignee: Bioreason Inc., "Method and System for Artificial Intelligence Directed Lead Discovery Through Multi-Domain Agglomerative Clustering", United States Patent , MBHB Case No. 99,832.
  7. Christos A. Nicolaou, John D. MacCuish, Susan Y. Tamura, "A new multi-domain clustering algorithm for lead discovery that exploits ties in proximities", Proceedings from the 13th European Symposium on Quantitative Structure-Activity Relationships, Prous Science, September, 2000, pp.486-495.
  8. J.F. Cargill, N.E. MacCuish, "Object-relational databases: the next wave in pharmaceutical data management", Drug Discovery Today, 3(12), 1998, pp. 547-551
  9. N.E. Shemetulskis, D. Weininger, C.J. Blankley, J.J. Yang, C. Humblet, "Stigmata: An Algorithm To Determine Structural Commonalities in Diverse Datasets", Journal of Chemical Information and Computer Sciences , 36(4),1996, pp. 862-871
  10. J. MacCuish, A. McPherson, J. Barros, P. Kelly. "Interactive Layout Mechanisms for Image Database Retrieval". IS&T/SPIE Symposium on Electronic Imaging: Science & Technology, February, 1996
  11. J.Berry, N. Dean, P. Fasel, M. Golberg, E. Johnson, J. MacCuish, G. Shannon and S. Skiena. "LINK: A Combinatorics and Graph Theory Workbench, for Applications and Research", DIMACS Technical Report 95-15 and Los Alamos Unclassified Report 95-1982, 1995.
  12. Norah E. Shemetulskis, James B. Dunbar Jr., Bonnie W. Dunbar, David W. Moreland and Christine Humblet, "Enhancing the diversity of a corporate database using chemical database clustering and analysis", Journal of Computer-Aided Molecular Design, 9, 1995, pp. 407-416.
  13. J. MacCuish, S. Mniszewski, G. Shannon, and B. Yantis. "Digital Village". Los Alamos Science, Number 22, p. 150-155, 1994
  14. G. Shannon, J. MacCuish and E. Johnson. "A case study in algorithm animation: Maximum flow algorithms", DIMACS Series in Discrete Mathematics and Theoretical Computer Science, Vol. 12, American Mathematical Society, 1993

Selected Presentations, Titles and Abstracts

  1. "Computational Tools in Dynamic Drug Design Workflows", Norah MacCuish, John MacCuish, and Mitch Chapman, ACS National Spring National Meeting in Philadelphia, COMP Session, August 18, 2008
  2. "Where Bioinformatics and Cheminformatics Meet: A Virtual Classroom", John MacCuish, Norah MacCuish, Mitch Chapman, Enrico Pontelli, Jing He, Jorge Pinto, Xiaoxiao Qin, David Bevan, David Moreland, Biocomputing Day, March 30, 2007
  3. "Substructure commonality analysis and visualization with new key-based binary fingerprinter", Norah MacCuish and John MacCuish, ACS National Spring National Meeting in Chicago, CINF Session, March 24-28, 2007.
  4. "Evaluating Asymmetry in Similarity Searching and Clustering via Multidimensional Scaling and Procrustes Analysis", John MacCuish and Norah MacCuish, ACS National Fall National Meeting in San Francisco, General Computational Chemistry Session, September 10, 2006.
  5. "Web-based Computational Laboratory", Norah MacCuish and John MacCuish, ACS National Fall National Meeting in San Francisco, General Computational Chemistry Session, September 10, 2006
  6. "A Virtual Classroom in Cheminformatics", Norah MacCuish, Biennial Conference on Chemical Education, Purdue University, IN, August 1, 2006 (Workshop and Presentation)
  7. "Web-based Computational Laboratory", Norah MacCuish, American Chemical Society Mid-Atlantic Regional Meeting, Hershey, Penn. June 8, 2006.
  8. "Cheminformatics Virtual Classroom", John MacCuish, Norah MacCuish, Mitch Chapman, and TJ O'Donnell, Biocomputing @ UNM, UNM Albuquerque, April 28, 2006.
  9. "SAESAR: Software workbench for the interpretation and visualization of shape, electrostatics and structure activity relationships", Norah E. MacCuish, Anthony Nicholls, John D. MacCuish, and Mitch Chapman, 230th American Chemical Society National Meeting, Division of Computers in Chemistry, Washington, DC, August 28, 2005; http://www.mesaac.com/SAESAR_ACS_DC.ppt
  10. "Virtual Classrooms and e-Learning: Bringing Cheminformatics Training into Academic and Industrial Settings", TJ O'Donnell, Norah MacCuish, and John MacCuish, ChemAxon User Group Meeting, Budapest, Hungary, May 19, 2005
  11. "Cheminformatics Virtual Classroom", Norah MacCuish and John MacCuish, Biocomputing @ UNM, UNM Albuquerque, April 22, 2005.
  12. "Virtual Classrooms and e-Learning: Bringing Cheminformatics Training into Academic and Industrial Settings", Norah MacCuish and John MacCuish, CUPVI - OpenEye Scientific Software's User Group Meeting, Santa Fe, February 22, 2005.
  13. "Clustering Ambiguity: An Overview", J.MacCuish and N. MacCuish, 3rd Joint Sheffield Conference on Chemoinformatics, University of Sheffield, April 23, 2004 presentation (Powerpoint version)
  14. "Variable Selection and Model Validation of 2D and 3D Molecular Descriptors", A.Nicholls, N.MacCuish, and J. MacCuish, 227th ACS, Anaheim, Ca., March 29, 2004 presentation (Powerpoint version)
  15. "SAESAR Shape and Electrostatics in SAR", N.MacCuish, A.Nicholls, and J. MacCuish, CUPV - OpenEye Scientific Software's User Group Meeting, Santa Fe, NM March 1, 2004 presentation (Powerpoint version)
  16. "OEChem Enabled: Data Mining Tools and Chemoinformatics Virtual Classroom", N.MacCuish,J. MacCuish,TJ O'Donnell,Tudor Oprea, Mitch Chapman, Poster CUPV - OpenEye Scientific Software's User Group Meeting, Santa Fe, NM February 29, 2004 presentation (Powerpoint version)
  17. "Investigations in shape clustering for lead hopping", N. MacCuish and J. MacCuish 226th ACS New York September 8, 2003 New York, NY September 2003 presentation (Powerpoint version)
  18. "Clustering ambiguity and binary descriptors", J. MacCuish and N. MacCuish 226th ACS New York September 8, 2003 New York, NY September 2003 presentation (Powerpoint version)
  19. "Tversky Shape Clustering for Screening Data", N. MacCuish and J. MacCuish, OpenEye Scientific Software User Group Meeting CUPIV Santa Fe, NM February 2003 presentation (Powerpoint version)
  20. "Russian Doll: Structure Clustering Using Asymmetry", N. MacCuish, J. MacCuish and J. Bradshaw, Daylight Chemical Information Systems User Group Meeting MUG'03, Santa Fe, NM February 2003 presentation (Powerpoint version)
  21. Norah E. MacCuish and John D. MacCuish, "Asymmetric Shape Clustering for Lead Hopping", Biology, Chemistry, and Computing for Drug Discovery in New Mexico, New Mexico Tech., Socorro, NM, January, 2003.
  22. Norah E. MacCuish and John D. MacCuish, "Asymmetric and Symmetric Clustering Chemical Data Sets with the Tversky Measure", American Chemical Society 2002 Rocky Mountain Regional Meeting, October, 2002.
  23. Norah E. MacCuish and John D. MacCuish, "Asymmetric Clustering of Chemical Data Sets: An Investigation", 224th American Chemical Society National Meeting, August, 2002.
  24. Christos A. Nicolaou, John D. MacCuish, Susan Y. Tamura, " A new multi-domain clustering algorithm for lead discovery that exploits ties in proximities", 13th European Symposium on Quantitative Structure-Activity Relationships, Dusseldorf, August-September, 2000.
  25. J.D. MacCuish, C.A. Nicolaou, N.E. MacCuish, "Ambiguities due to ties in proximity in lead discovery clustering algorithms", American Chemical Society National Meeting, San Francisco, March, 2000.
  26. John MacCuish, Christos Nicolaou and Norah MacCuish "Ties and Clustering", Mug2000, Daylight CIS User Group Meeting, February, 2000.
  27. N. MacCuish, "The Daylight Datablade", EuroMug'98, Daylight European User Group Meeting, October, 1998.
  28. N. Shemetulskis, "Database Integration", MUG'98 Daylight User Group Meeting, February, 1998.
  29. J. MacCuish, A. McPherson, J. Barros, and P. Kelly. "Interactive Layout Mechanisms for Image Database Retrieval". IS&T/SPIE Symposium on Electronic Imaging: Science & Technology, February, 1996.
  30. Norah Shemetulskis, Dave Weininger, C. John Blankley, J. Scott Dixon "Extracting Structural Commonalities from Chemically Diverse Datasets", Presentation made at the Second Annual Conference for the Society for Biomolecular Screening, Basel Switzerland,October 1996.
  31. K. Desch, C. Edge, K. Simonsen, G. Shannon, and J. MacCuish. "Animating Embedding Heuristics", DIMACS Workshop on Computational Support for Discrete Mathematics, Rutgers University, New Jersey, March 1992.
  32. G. Shannon, J. MacCuish, and E. Johnson. "Animating Network Flow Algorithms", DIMACS Workshop on Computational Support for Discrete Mathematics, Rutgers University, New Jersey, March 1992.
Copyright © 2010 Mesa Analytics & Computing, Inc.    All rights reserved