Novel Software Tools for Chemical Diversity

Part of the Three-Dimensional Quantitative Structure Activity Relationships book series (QSAR, volume 2)


Chemical Diversity Subset Selection Lower Eigenvalue Phosphinic Acid Diversity Void 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.


Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.


  1. 5.
    Brown, R.D. and Martin. Y.C., Use of structure-activity data to compare structure-based clustering methods and descriptors for use in compound selection, J. Chem. Inf. Comp. Sci., 36 (1996), 572–584.CrossRefGoogle Scholar
  2. 6.
    Pearlman, R.S., Novel software tools for addressing chemical diversity, NetSci,, 2 (1996), 1.Google Scholar
  3. 7.
    Pearlman. R.S., Diverse Solutions User’s Manual, Universityof Texas, Austin. TX, 1996.Google Scholar
  4. 8.
    Burden. F.R., Molecularidentification number for substructure searches, J.Chem.Inf.Comp.Sci., 29 (1989), 225–7.CrossRefGoogle Scholar
  5. 9.
    Rusinko III, A. and Lipkus. A.H., unpublished results obtained at ChemicalAbstracts Service,Columbus OH.Google Scholar
  6. 10.
    Pearlman, R.S. and Smith, K.M., manuscript in preparation.Google Scholar
  7. 13.
    Weintraub, H.J.R. and Demeter, D.A., personal communication.Google Scholar
  8. 14.
    Pearlman, R.S. and Deanda, F., manuscript in preparation.Google Scholar
  9. 16.
    Sweet, C.S., Ulm, E.H., Gross, D.M., Vassil, T.C. and Stone, C.A., Anew class ofangiotensin-converting enzyme inhibitors, Nature, 288 (1980) 280–283.Google Scholar
  10. 17.
    Suh, J.T., Skiles, J.W., Williams, B.E., Youssefyeh, R.D., Jones, H., Loev, B., Neiss, E.S., Schwab, A., Mann, W.S., Khandwala, A., Wolf, P.S., and Weinryb, I., Angiotensin-ConvertingEnzyme Inhibitors New Orally active antihypertensive (Mercaptoalkanoyl)-and [(Acylthio)alkanoyl]glycine derivatives, J. Med. Chem., 28 (1985) 57–66.CrossRefGoogle Scholar
  11. 18.
    Menard, P.R., Suh, J.T., Jones, H., Loev, B., Neiss, E.S., Wilde, J., Schwab, A., and Mann, W.S., Angiotensin-ConvertingEnzyme Inhibitors. (Mercaptoaroyl)amino acids, J. Med. Chem., 28 (1985) 328–332.CrossRefGoogle Scholar
  12. 19.
    Wyvratt, M.J. and Patchett, A.A., Recent developments in the design of angiotensin-converting enzyme inhibitors, Med. Res. Rev., 5 (1985) 483–531.Google Scholar
  13. 20.
    Karanewsky, D.S., Badia, M.C., Cushman, D.W., DeForrest, J.M., Dejneka, T., Loots, M.J., Perri, M.G., Petrillo, E.W., and Powell, J.R., (Phosphinyloxy)acyl amino acid inhibitorsofangiotensin-converting enzyme (ACE). 1. Discovery of (S)-1-[6-amino-2-[[hydroxy(4-phenylbutyl)phosphinyl]oxy]-l-oxohexyl-L-proline novel orally active inhibitor of ACE, J. Med. Chem., 31 (1988) 204–212.CrossRefGoogle Scholar
  14. 21.
    Yanagisawa, H., Ishihara, S., Ando, A., Kanazaki, T., Miyamoto, S., Koike, H., Iijima, Y., Oizumi, K., Matsushita, Y. and Hata, T., Angiotensin-Converting Enzyme Inhibitors. 2. Perhydroazepin-2-one deriv-atives. J. Med. Chem., 31 (1988) 422–428.CrossRefGoogle Scholar
  15. 22.
    Krapcho, J., Turk, C., Cushman, D.W., Powell, J.R., DeForrest, J.M., Spitzmiller, E.R., Karanewsky, D.S., Duggan, M., Rovnyak, G., Schwwartz, J., Natarajan, S., Godfrey, J.D., Ryono, D.E., Neubeck, R., Atwal, K.S., and Petrillo, E.W., Angiotensin-Converting Enzyme Inhibitors.Mercaptan, carboxyalkyl dipeptide, and phosphinic acid inhibitors incorporating 4-substitutedprolines, J. Med. Chem., 31 (1988) 1148–1160.CrossRefGoogle Scholar
  16. 23.
    Karanewsky, D.S., Badia, M.C., Cushman, D.W., DeForrest, J.M., Dejneka, T., Lee, V.G., Loots, M.J., and Petrillo, E.W., (Phosphinyloxy)acyl amino acid inhibitors of angiotensin-converting enzyme. 2. Terminal amino acid analogues of (S)-1-[6-amino-2-[[hydroxy(4-phenylbutyl)phosphinyl]oxy]-1-oxohexyl]-L-proline, J. Med. Chem., 33 (1990) 1459–1469.Google Scholar

Copyright information

© Kluwer Academic Publishers 2002

Authors and Affiliations

  1. 1.Laboratory for Molecular Graphics and Theoretical Modelling College of PharmacyUniversity of TexasAustinUSA

Personalised recommendations