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Volumn 14, Issue 6, 1996, Pages 9-15

Compound libraries for lead discovery

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0005689810     PISSN: 0392839X     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article
Times cited : (11)

References (49)
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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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    • 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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    • 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)
    • (1994) J. Med. Chem. , vol.37 , pp. 1385
    • Gordon, E.M.1    Barrett, R.W.2    Dower, W.J.3    Fodor, S.P.A.4    Gallop, M.A.5
  • 12
    • 0346777913 scopus 로고    scopus 로고
    • Within TRIPOS, the first individual to formulate this design principle for optimal screening libraries was David Patterson
    • Within TRIPOS, the first individual to formulate this design principle for optimal screening libraries was David Patterson.
  • 21
    • 0347408360 scopus 로고
    • and references cited therein; TRIPOS, Inc., St. Louis, MO 63144, USA
    • SYBYL 6.2, Ligand-Based Design Manual pp 246-255 and references cited therein; TRIPOS, Inc., St. Louis, MO 63144, USA, 1995.
    • (1995) SYBYL 6.2, Ligand-Based Design Manual , pp. 246-255
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    • note
    • 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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    • 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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    • 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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    • 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)
    • (1987) Medicinal Research Reviews , pp. 7417
    • Kier, L.B.1
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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
    • 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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    • for details of the implementation and references cited therein. TRIPOS, Inc. St. Louis
    • SYBYL 6.2, Ligand-Based Design Manual pp 220-225 for details of the implementation and references cited therein. TRIPOS, Inc. St. Louis, 1995
    • (1995) SYBYL 6.2, Ligand-Based Design Manual , pp. 220-225


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