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(b) J. Alper, Science 264 1399 (1994)
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Science
, vol.264
, pp. 1399
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Alper, J.1
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For recent reviews including a variety of references see for example: (a) M.A. Gallop, R.W. Barrett, W.J. Dower, S.P.A. Fodor, E.M. Gordon; J. Med. Chem. 37 1233 (1994) (b) E.M. Gordon, R.W. Barrett, W.J. Dower, S.P.A.Fodor, M.A. Gallop; J. Med. Chem. 37 1385 (1994)
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J. Med. Chem.
, vol.37
, pp. 1233
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Gallop, M.A.1
Barrett, R.W.2
Dower, W.J.3
Fodor, S.P.A.4
Gordon, E.M.5
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4
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0028318863
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For recent reviews including a variety of references see for example: (a) M.A. Gallop, R.W. Barrett, W.J. Dower, S.P.A. Fodor, E.M. Gordon; J. Med. Chem. 37 1233 (1994) (b) E.M. Gordon, R.W. Barrett, W.J. Dower, S.P.A.Fodor, M.A. Gallop; J. Med. Chem. 37 1385 (1994)
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J. Med. Chem.
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Gordon, E.M.1
Barrett, R.W.2
Dower, W.J.3
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Gallop, M.A.5
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5
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0028953765
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E.J. Martin, J.M. Blaney, M.A.Siani, D.C. Spellmeyer, A.K. Wong, W.H. Moss; J. Med. Chem. 38 1431 (1995)
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J. Med. Chem.
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, pp. 1431
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Martin, E.J.1
Blaney, J.M.2
Siani, M.A.3
Spellmeyer, D.C.4
Wong, A.K.5
Moss, W.H.6
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7
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N.E. Shemetulskis, J.B. Dunbar, B.W. Dunbar, D.W. Moreland, C. Humblet; J. Comp. Aided Mol. Design 9 407 (1995)
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(1995)
J. Comp. Aided Mol. Design
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Shemetulskis, N.E.1
Dunbar, J.B.2
Dunbar, B.W.3
Moreland, D.W.4
Humblet, C.5
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12
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0346777913
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Within TRIPOS, the first individual to formulate this design principle for optimal screening libraries was David Patterson
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Within TRIPOS, the first individual to formulate this design principle for optimal screening libraries was David Patterson.
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-
-
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13
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0029257836
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See for example T. Carell, E.A. Wintner, A.J. Sutherland, J. Rebek Jr., Y.M. Dunayevskiy, P. Vouros; Chemistry & Biology 2 171 (1995)
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(1995)
Chemistry & Biology
, vol.2
, pp. 171
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Carell, T.1
Wintner, E.A.2
Sutherland, A.J.3
Rebek J., Jr.4
Dunayevskiy, Y.M.5
Vouros, P.6
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14
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0348039304
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-
Tripos Inc., 1699 S. Hanley Road, St. Louis, MO 63144, USA
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SYBYL Molecular Modelling Package, Version 6.2 and 6.22; Tripos Inc., 1699 S. Hanley Road, St. Louis, MO 63144, USA.
-
SYBYL Molecular Modelling Package, Version 6.2 and 6.22
-
-
-
15
-
-
0005424998
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-
Tripos Inc., 1699 S. Hanley Road, St. Louis, MO 63144, USA
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UNITY Chemical Information Software, Version 2.5; Tripos Inc., 1699 S. Hanley Road, St. Louis, MO 63144, USA.
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UNITY Chemical Information Software, Version 2.5
-
-
-
20
-
-
0003476917
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-
ESCOM, Leiden, NL
-
3D-QSAR in Drug Design. Theory, Methods and Applications, H. Kubinyi Ed., ESCOM, Leiden, NL, 1993. This includes many applications and cross-references of the CoMFA methodology in medicinal chemistry.
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(1993)
3D-QSAR in Drug Design. Theory, Methods and Applications
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Kubinyi, H.1
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21
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0347408360
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and references cited therein; TRIPOS, Inc., St. Louis, MO 63144, USA
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SYBYL 6.2, Ligand-Based Design Manual pp 246-255 and references cited therein; TRIPOS, Inc., St. Louis, MO 63144, USA, 1995.
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(1995)
SYBYL 6.2, Ligand-Based Design Manual
, pp. 246-255
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-
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25
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0042048782
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Similarity and Cluster Analysis Applied to Molecular Diversity
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Anaheim, CA COMP3
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R.D. Brown, M.G. Bures, Y.C. Martin, Similarity and Cluster Analysis Applied to Molecular Diversity, Abstract, ACS Meeting, Anaheim, CA 1995, COMP3.
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(1995)
ACS Meeting
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Brown, R.D.1
Bures, M.G.2
Martin, Y.C.3
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27
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0346777857
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Institute for Scientific Information, Inc. (ISI), 3501 Market Street, Philadelphia, PA, USA
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Index Chemical Database - Subset from 1993; Institute for Scientific Information, Inc. (ISI), 3501 Market Street, Philadelphia, PA, USA.
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(1993)
Index Chemical Database - Subset from 1993
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-
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28
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0043050409
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available from Tripos Inc., St. Louis, MO 63144, USA
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R.S. Pearlman, R. Balducci, A. Rusinko, J.M. Skell, K.M. Smith; CONCORD, program version 3.2.1. available from Tripos Inc., St. Louis, MO 63144, USA, 1995.
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(1995)
CONCORD, Program Version 3.2.1
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-
Pearlman, R.S.1
Balducci, R.2
Rusinko, A.3
Skell, J.M.4
Smith, K.M.5
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30
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0348039302
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Tripos Inc., St. Louis, MO 63144, USA, Oct.
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UNITY 2.5 Reference Guide pp. 56-58; Tripos Inc., St. Louis, MO 63144, USA, Oct. 1995
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(1995)
UNITY 2.5 Reference Guide
, pp. 56-58
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-
-
31
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0348039301
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note
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The standard UNITY 2.5 flexible 3D fingerprint setup files were modified to measure pairwise distances between potential pharmacophoric points (hydrogen bond donors, acceptors, charged centers, aromatic rings and lipophilic centers).
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32
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33751499087
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Advanced topological molecular 2D indices divided into 4 general classes (details are given in the Sybyl 6.2 Molecular Spreadsheet Manual 231-242, Tripos, Inc. 1995): (a) L.H. Hall, B. Mohney, L.B.Kier, J. Chem. Inf. Comput. Sci. 31 76 (1991) (b) V.K. Gpmbar, K. Enslein; Quant. Struct.-Act. Relat. 9 321 (1990) L.B. Kier, L.H. Hall; Molecular Connectivity and Drug Research; Academic Press, NY, 1976 V.K. Gombar, D.V.S. Jain; Ind. J. Chem. 26A 554 (1987) (e) L.B. Kier; Medicinal Research Reviews 7417 (1987)
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(1991)
J. Chem. Inf. Comput. Sci.
, vol.31
, pp. 76
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Hall, L.H.1
Mohney, B.2
Kier, L.B.3
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33
-
-
0025612077
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Advanced topological molecular 2D indices divided into 4 general classes (details are given in the Sybyl 6.2 Molecular Spreadsheet Manual 231-242, Tripos, Inc. 1995): (a) L.H. Hall, B. Mohney, L.B.Kier, J. Chem. Inf. Comput. Sci. 31 76 (1991) (b) V.K. Gpmbar, K. Enslein; Quant. Struct.-Act. Relat. 9 321 (1990) L.B. Kier, L.H. Hall; Molecular Connectivity and Drug Research; Academic Press, NY, 1976 V.K. Gombar, D.V.S. Jain; Ind. J. Chem. 26A 554 (1987) (e) L.B. Kier; Medicinal Research Reviews 7417 (1987)
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(1990)
Quant. Struct.-Act. Relat.
, vol.9
, pp. 321
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Gpmbar, V.K.1
Enslein, K.2
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34
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33751499087
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-
Academic Press, NY
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Advanced topological molecular 2D indices divided into 4 general classes (details are given in the Sybyl 6.2 Molecular Spreadsheet Manual 231-242, Tripos, Inc. 1995): (a) L.H. Hall, B. Mohney, L.B.Kier, J. Chem. Inf. Comput. Sci. 31 76 (1991) (b) V.K. Gpmbar, K. Enslein; Quant. Struct.-Act. Relat. 9 321 (1990) L.B. Kier, L.H. Hall; Molecular Connectivity and Drug Research; Academic Press, NY, 1976 V.K. Gombar, D.V.S. Jain; Ind. J. Chem. 26A 554 (1987) (e) L.B. Kier; Medicinal Research Reviews 7417 (1987)
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(1976)
Molecular Connectivity and Drug Research
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-
Kier, L.B.1
Hall, L.H.2
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35
-
-
33751499087
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Advanced topological molecular 2D indices divided into 4 general classes (details are given in the Sybyl 6.2 Molecular Spreadsheet Manual 231-242, Tripos, Inc. 1995): (a) L.H. Hall, B. Mohney, L.B.Kier, J. Chem. Inf. Comput. Sci. 31 76 (1991) (b) V.K. Gpmbar, K. Enslein; Quant. Struct.-Act. Relat. 9 321 (1990) L.B. Kier, L.H. Hall; Molecular Connectivity and Drug Research; Academic Press, NY, 1976 V.K. Gombar, D.V.S. Jain; Ind. J. Chem. 26A 554 (1987) (e) L.B. Kier; Medicinal Research Reviews 7417 (1987)
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(1987)
Ind. J. Chem.
, vol.26 A
, pp. 554
-
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Gombar, V.K.1
Jain, D.V.S.2
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36
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33751499087
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Advanced topological molecular 2D indices divided into 4 general classes (details are given in the Sybyl 6.2 Molecular Spreadsheet Manual 231-242, Tripos, Inc. 1995): (a) L.H. Hall, B. Mohney, L.B.Kier, J. Chem. Inf. Comput. Sci. 31 76 (1991) (b) V.K. Gpmbar, K. Enslein; Quant. Struct.-Act. Relat. 9 321 (1990) L.B. Kier, L.H. Hall; Molecular Connectivity and Drug Research; Academic Press, NY, 1976 V.K. Gombar, D.V.S. Jain; Ind. J. Chem. 26A 554 (1987) (e) L.B. Kier; Medicinal Research Reviews 7417 (1987)
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(1987)
Medicinal Research Reviews
, pp. 7417
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-
Kier, L.B.1
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37
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0346777849
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Maybridge 1995 and NCI 1995 databases are both available from Tripos Inc., 1699 S. Hanley Road, St. Louis, MO 63144, USA
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Maybridge 1995 and NCI 1995 databases are both available from Tripos Inc., 1699 S. Hanley Road, St. Louis, MO 63144, USA
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-
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40
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0346147515
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S. Hobbs DeWitt, J.S. Keily, C.J. Stancovic, M.C. Schroeder, D.M. Reynolds Cody, M.R. Pavia; Proc. Natl. Acad. Sci. U.S.A. 90 6906 (1993)
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(1993)
Proc. Natl. Acad. Sci. U.S.A.
, vol.90
, pp. 6906
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Hobbs Dewitt, S.1
Keily, J.S.2
Stancovic, C.J.3
Schroeder, M.C.4
Reynolds Cody, D.M.5
Pavia, M.R.6
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46
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0024154259
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Multivariate Data Analysis and Experimental Design in Biomedical Research
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G.P. Ellis, G.B. West; Elsevier
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L. Stahle, S. Wold: "Multivariate Data Analysis and Experimental Design in Biomedical Research" in: Progress in Medicinal Chemistry, G.P. Ellis, G.B. West; Elsevier, 1988, pp 292-338
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Progress in Medicinal Chemistry
, pp. 292-338
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Stahle, L.1
Wold, S.2
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Chemometrics: Mathematics and Statistics in Chemistry, B.R. Kowalski Ed.; NATO, D. Reidel Publ. Co., Dordrecht, Holland
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(e) S. Wold, C. Albano, W.J. Dunn III, U. Edlund, K. Esbensen, P. Geladi, S. Hellberg, E. Johanson, W. Lindberg, M. Sjöström; in: Chemometrics: Mathematics and Statistics in Chemistry, B.R. Kowalski Ed.; NATO, ISI Series C 138, D. Reidel Publ. Co., Dordrecht, Holland, 1984, pp 17-96
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ISI Series C
, vol.138
, pp. 17-96
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Albano, C.2
Dunn W.J. III3
Edlund, U.4
Esbensen, K.5
Geladi, P.6
Hellberg, S.7
Johanson, E.8
Lindberg, W.9
Sjöström, M.10
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49
-
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0347408360
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for details of the implementation and references cited therein. TRIPOS, Inc. St. Louis
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SYBYL 6.2, Ligand-Based Design Manual pp 220-225 for details of the implementation and references cited therein. TRIPOS, Inc. St. Louis, 1995
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(1995)
SYBYL 6.2, Ligand-Based Design Manual
, pp. 220-225
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