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Volumn 49, Issue 20, 2006, Pages 5869-5879

Molecular complexity analysis of de novo designed ligands

Author keywords

[No Author keywords available]

Indexed keywords

NAPHTHALENE DERIVATIVE;

EID: 33749250361     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm050054p     Document Type: Article
Times cited : (42)

References (24)
  • 1
    • 0037404468 scopus 로고    scopus 로고
    • Selection criteria for drug-like compounds
    • Muegge, I. Selection criteria for drug-like compounds. Med. Res. Rev. 2003, 23, 302-321.
    • (2003) Med. Res. Rev. , vol.23 , pp. 302-321
    • Muegge, I.1
  • 4
    • 0035289779 scopus 로고    scopus 로고
    • Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
    • Lipinski, C. A.; Lombardo, F.; Dominy, B. W.; Feeney, P. J. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv. Drug Delivery Rev. 2001, 46, 3-26.
    • (2001) Adv. Drug Delivery Rev. , vol.46 , pp. 3-26
    • Lipinski, C.A.1    Lombardo, F.2    Dominy, B.W.3    Feeney, P.J.4
  • 6
    • 0034266313 scopus 로고    scopus 로고
    • Drug-like index: A new approach to measure drug-like compounds and their diversity
    • Xu, J.; Stevenson, J. Drug-like index: A new approach to measure drug-like compounds and their diversity. J. Chem. Inf. Comput. Sci. 2000, 40, 1177-1187.
    • (2000) J. Chem. Inf. Comput. Sci. , vol.40 , pp. 1177-1187
    • Xu, J.1    Stevenson, J.2
  • 7
    • 0035821596 scopus 로고    scopus 로고
    • Simple selection criteria for drug-like chemical matter
    • Muegge, I.; Heald, S. L.; Brittelli, D. Simple selection criteria for drug-like chemical matter. J. Med. Chem. 2001, 44, 1841-1846.
    • (2001) J. Med. Chem. , vol.44 , pp. 1841-1846
    • Muegge, I.1    Heald, S.L.2    Brittelli, D.3
  • 8
    • 0030756360 scopus 로고    scopus 로고
    • Reactive compounds and in vitro false positives in HTS
    • Rishton, G. M. Reactive compounds and in vitro false positives in HTS. Drug Discovery Today 1997, 2, 382-384.
    • (1997) Drug Discovery Today , vol.2 , pp. 382-384
    • Rishton, G.M.1
  • 9
    • 0001376170 scopus 로고    scopus 로고
    • Potential drugs and nondrugs: Prediction and identification of important structural features
    • Wagener, M.; van Geerestein, V. J. Potential drugs and nondrugs: Prediction and identification of important structural features. J. Chem. Inf. Comput. Sci. 2000, 40, 280-292.
    • (2000) J. Chem. Inf. Comput. Sci. , vol.40 , pp. 280-292
    • Wagener, M.1    Van Geerestein, V.J.2
  • 10
    • 0032015361 scopus 로고    scopus 로고
    • Identification of biological activity profiles using substructural analysis and genetic algorithms
    • Gillet, V. J.; Willett, P.; Bradshaw, J. Identification of biological activity profiles using substructural analysis and genetic algorithms. J. Chem. Inf. Comput. Sci. 1998, 38, 165-179.
    • (1998) J. Chem. Inf. Comput. Sci. , vol.38 , pp. 165-179
    • Gillet, V.J.1    Willett, P.2    Bradshaw, J.3
  • 11
    • 0032572819 scopus 로고    scopus 로고
    • Can we learn to distinguish between "druglike" and "nondruglike" molecules?
    • Ajay; Walters, W. P.; Murcko, M. A. Can we learn to distinguish between "druglike" and "nondruglike" molecules?. J. Med. Chem. 1998, 41, 3314-3324.
    • (1998) J. Med. Chem. , vol.41 , pp. 3314-3324
    • Ajay1    Walters, W.P.2    Murcko, M.A.3
  • 12
    • 0032572816 scopus 로고    scopus 로고
    • A scoring scheme for discriminating between drugs and nondrugs
    • Sadowski, J.; Kubinyi, H. A scoring scheme for discriminating between drugs and nondrugs. J. Med. Chem. 1998, 41, 3325-3329.
    • (1998) J. Med. Chem. , vol.41 , pp. 3325-3329
    • Sadowski, J.1    Kubinyi, H.2
  • 13
    • 0029894013 scopus 로고    scopus 로고
    • The properties of known drugs. 1. Molecular frameworks
    • Bemis, G. W.; Murcko, M. A. The properties of known drugs. 1. Molecular frameworks. J. Med. Chem. 1996, 39, 2887-2893.
    • (1996) J. Med. Chem. , vol.39 , pp. 2887-2893
    • Bemis, G.W.1    Murcko, M.A.2
  • 14
    • 0033576605 scopus 로고    scopus 로고
    • Properties of known drugs. 2. Side chains
    • Bemis, G. W.; Murcko, M. A. Properties of known drugs. 2. Side chains. J. Med. Chem. 1999, 42, 5095-5099.
    • (1999) J. Med. Chem. , vol.42 , pp. 5095-5099
    • Bemis, G.W.1    Murcko, M.A.2
  • 15
    • 0032600640 scopus 로고    scopus 로고
    • A knowledge-based approach in designing combinatorial or medicinal chemistry libraries for drug discovery. 1. A qualitative and quantitative characterization of known drug databases
    • Ghose, A. K.; Viswanadhan, V. N.; Wendoloski, J. A knowledge-based approach in designing combinatorial or medicinal chemistry libraries for drug discovery. 1. A qualitative and quantitative characterization of known drug databases. J. Comb. Chem. 1999, 1, 55-68.
    • (1999) J. Comb. Chem. , vol.1 , pp. 55-68
    • Ghose, A.K.1    Viswanadhan, V.N.2    Wendoloski, J.3
  • 16
    • 0032058905 scopus 로고    scopus 로고
    • RECAP - Retrosynthetic combinatorial analysis procedure: A powerful new technique for identifying privileged molecular fragments with useful applications in combinatorial chemistry
    • Lewell, X. Q.; Judd, D. B.; Watson, S. P.; Hann, M. M. RECAP - Retrosynthetic combinatorial analysis procedure: A powerful new technique for identifying privileged molecular fragments with useful applications in combinatorial chemistry. J. Chem. Inf. Comput. Sci. 1998, 38, 511-522.
    • (1998) J. Chem. Inf. Comput. Sci. , vol.38 , pp. 511-522
    • Lewell, X.Q.1    Judd, D.B.2    Watson, S.P.3    Hann, M.M.4
  • 17
    • 0036025428 scopus 로고    scopus 로고
    • The most common chemical replacements in drug-like compounds
    • Sheridan, R. P. The most common chemical replacements in drug-like compounds. J. Chem. Inf. Comput. Sci. 2002, 42, 103-108.
    • (2002) J. Chem. Inf. Comput. Sci. , vol.42 , pp. 103-108
    • Sheridan, R.P.1
  • 18
    • 0033223647 scopus 로고    scopus 로고
    • Toward designing drug-like libraries: A novel computational approach for prediction of drug feasibility of compounds
    • Wang, J.; Ramnarayan, K. Toward designing drug-like libraries: A novel computational approach for prediction of drug feasibility of compounds. J. Comb. Chem. 1999, 1, 524-533.
    • (1999) J. Comb. Chem. , vol.1 , pp. 524-533
    • Wang, J.1    Ramnarayan, K.2
  • 19
    • 0002820943 scopus 로고
    • SPROUT, HIPPO and CAESA: Tools for de novo structure generation and estimation of synthetic accessibility
    • Gillet, V. J.; Myatt, G.; Zsoldos, Z.; Johnson A. P. SPROUT, HIPPO and CAESA: Tools for de novo structure generation and estimation of synthetic accessibility. Perspect. Druq Discovery Des. 1995, 3, 34-50.
    • (1995) Perspect. Druq Discovery Des. , vol.3 , pp. 34-50
    • Gillet, V.J.1    Myatt, G.2    Zsoldos, Z.3    Johnson, A.P.4
  • 21
    • 0000293407 scopus 로고
    • Generation of a unique machine description for chemical structures-a technique developed at chemical abstracts service
    • Morgan, H. L. Generation of a unique machine description for chemical structures-a technique developed at chemical abstracts service. J. Chem. Doc. 1965, 5, 107-113.
    • (1965) J. Chem. Doc. , vol.5 , pp. 107-113
    • Morgan, H.L.1
  • 22
    • 0000656724 scopus 로고
    • Stereochemically Unique Naming Algorithm
    • Wipke, W. T.; Dyott, T. M. Stereochemically Unique Naming Algorithm. J. Am. Chem. Soc. 1974, 96, 4834-4842.
    • (1974) J. Am. Chem. Soc. , vol.96 , pp. 4834-4842
    • Wipke, W.T.1    Dyott, T.M.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.