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Novel Software Tools for Chemical Diversity

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

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References

  1. 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.

    Article  CAS  Google Scholar 

  2. Pearlman, R.S., Novel software tools for addressing chemical diversity, NetSci, http://www.awod.com/netsci, 2 (1996), 1.

    Google Scholar 

  3. Pearlman. R.S., Diverse Solutions User’s Manual, Universityof Texas, Austin. TX, 1996.

    Google Scholar 

  4. Burden. F.R., Molecularidentification number for substructure searches, J.Chem.Inf.Comp.Sci., 29 (1989), 225–7.

    Article  CAS  Google Scholar 

  5. Rusinko III, A. and Lipkus. A.H., unpublished results obtained at ChemicalAbstracts Service,Columbus OH.

    Google Scholar 

  6. Pearlman, R.S. and Smith, K.M., manuscript in preparation.

    Google Scholar 

  7. Weintraub, H.J.R. and Demeter, D.A., personal communication.

    Google Scholar 

  8. Pearlman, R.S. and Deanda, F., manuscript in preparation.

    Google Scholar 

  9. 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. 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.

    Article  CAS  Google Scholar 

  11. 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.

    Article  CAS  Google Scholar 

  12. Wyvratt, M.J. and Patchett, A.A., Recent developments in the design of angiotensin-converting enzyme inhibitors, Med. Res. Rev., 5 (1985) 483–531.

    CAS  Google Scholar 

  13. 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.

    Article  CAS  Google Scholar 

  14. 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.

    Article  CAS  Google Scholar 

  15. 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.

    Article  CAS  Google Scholar 

  16. 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.

    CAS  Google Scholar 

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© 2002 Kluwer Academic Publishers

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Pearlman, R.S., Smith, K.M. (2002). Novel Software Tools for Chemical Diversity. In: Kubinyi, H., Folkers, G., Martin, Y.C. (eds) 3D QSAR in Drug Design. Three-Dimensional Quantitative Structure Activity Relationships, vol 2. Springer, Dordrecht. https://doi.org/10.1007/0-306-46857-3_18

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  • DOI: https://doi.org/10.1007/0-306-46857-3_18

  • Publisher Name: Springer, Dordrecht

  • Print ISBN: 978-0-7923-4790-3

  • Online ISBN: 978-0-306-46857-5

  • eBook Packages: Springer Book Archive

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