1 |
CMC (1996) Computational medicinal chemistry, CMC modeling guide, Computer aided molecular design, QSAR, Faculty of pharmacy Utrecht university; www:cmc.pharm.uu.nl, Netherlands
|
2 |
Cramer, R. D. III., J. D. Bunce and D. E Patterson (1988b) Cross-validation, bootstrapping, and partial least squares compared with multiple regression in conventional qsar studies. Quant. Struct. Act. Relat. 7:18-25
|
3 |
Keer, I. D., R. Sankararamakrishnan, O. S. Smart and M. S. P. Sansom (1994) Parallel helix bundles and ionchannels: molecular modeling via simulated annealing and restrained molecular dynamics, Biophysical J. 67:1501-1515
|
4 |
Kubinyi, H. (1993b) 3D QSAR in Drug Design; Theory, Methods and Applications. ESCOM, Leiden. Lowis, D. R. (1997) HQSAR. A new, highly predictive QSAR technique. Tripos Technical Notes, Vol. 1, No.5
|
5 |
Reddy, M. R. and A. L. Parrill (1999) Overview of rational drug design. In Rational Drug Design(ed. Reddy, M. R. and Parrill). Ch. 1., ACS Symposium Series 719, American Chemical Society, Washington, DC
|
6 |
Stahle, L. and S. Wold (1988) Multivariate data analysis and experimental design in biomedical reearch. Progr. Med. Chem. 25:292-334
|
7 |
Yu, S. J. and N. D. Sung (2002) Comparative molecular field analysis (CoMFA) on the farnesy1 protein transferase (FPTase) inhibition activity of bis-aromatic ,-unsaturated ketones. Agric. Chem. Biotechnol. 45 (1):1-6
|
8 |
Wise, M., R. D. Cramer, D. Smith and I. Exman (1983) Progress in three-dimensional drug design: The use of real tine colour graphics and computer postulation of bioactive molecules in DYLOMMS. pp.145-146. In Quantitative Approaches to Drug Design (ed. Dearden, J. C), Elsevier, Armsterdam
|
9 |
Wold, S., C. Albano, W. J. I. Dunn, U. Edlund,, K. Esbensen, P. Geladi, S. Hellberg, E. Johannson, W. Lindberg and M. Sjostrom (1984) Multivariate data analysis in chemistry. In Chemometrics: Mathematics and Statistics in Chemistry (ed Kowalskl, B.) Reidel, Dordrecht, Netherlands
|
10 |
성낙도, 김기현 (2002a) 고추역 병균에 대한 2-N-benzyl-5-phenoxy-3-isothiazolone 유도체의 살균활성 에 관한 비교분자 유사성 지수분석 (CoMSIA)과 홀로그램 구조-활성관계 (HQSAR) . 한국농약과학회지 6(3):209-217
|
11 |
성낙도, 옥환석, 송종환, 이용구 (2003a) N-치환 pheny1-3,4,5,6-tetrahydrophthalimide와 N-치환 pheny1-3,4-dimethylmaleimide 유도체의 생장 저해 활성에 관한 비교 분자장 분석(CoMFA). 한국농약과학회지 투고 중
|
12 |
성낙도, 이상호, 송종환, 김형래(2003b) 제초성 3-pheny1-5-(3,7-dichloro-8-quinolinyl)-1,2,4-oxadiazole 유도체들의 생장 저해활성에 관한 비교 분자장 분석(CoMFA)과 분자 홀로그램 구조-활성관계(HQSAR). 한국농약과학회지 투고 중
|
13 |
Cramer, R. D., D. E. Patterson and J. D. Bunce (1988a) Comparative molecular field analysis (CoMFA), I. Effect of shape on binding of steroids to carrier proteins, J. Am. Chem. Soc., 110:5959-5967
|
14 |
Tripos: www.tripos.com. Sybyl program (Ver. 6.9). 1699, S. Hanely Rd., Suite 303, S1. Louis, MO. 63144, U. S. A
|
15 |
Borher, D. C., D. S. Fullertoton and K. Yoshioka (1997) Computer-assisted drug design, ACS symposium series 112. pp. 259. American chemical society, Washington, DC
|
16 |
Hopjinger, A. J., S. Wang, J. S. Tokarski, B. Jin, M. Albuquer, P. J. Madhav and C. Duraiswami (1997) Construction of 3D QSAR models using the 3D QSAR analysis formalim. J. Am. Chem. Soc. 119:10509-10524
|
17 |
Silverman, B. D. and D. E. Platt (1996) Comparative molecular moment analysis (CoMMA): 3D-QSAR with out molecular superposition. J. Med. Chem. 39:2129-2140
|
18 |
Eto, M. (1992) Rational approaches to finding agrochemical leads, Ch. 4, In Rational Approaches to Structure, Activity, and Ecotoxicology of Agrochemicals (ed. Draber, W. and T. Fujita) CRC Press, London
|
19 |
Ghose, A. K., V. N. Viswanadhan, J. J. Wendoloski (1999) 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. 1:55-68
|
20 |
Klebe, G., U. Abraham and T. Mietzner (1994) Molecu-lar similarity indices in a comparative analysis(CoMSIA) of drug molecules to correlate and predict their biological activity, J. Moo. Chem. 37:4130-4146
|
21 |
Kubinyi, H. (1993a) QSAR, Hausch analysis and related approaches, In Methods and Principles in Medcinal Chemistry(ed. Mannhold, R., L. P. Krogsgaard and H. Timmerman), Vol. 1., VCH, Weinheim
|
22 |
Accelrys : www.accelrys.com. 200 Wheeler Rd., S. tower, Burlington, MA. U. S. A.
|
23 |
Dillon, W. R. and M. Goldsten (1984) Multivariate analysis: Methods and applications. pp.209., John iley & Sons, New York
|
24 |
Free, S. M. and J. W. Wilson (1964) A mathematical contribution to structure-activity studies. J. Med. Chem 7:359-366
|
25 |
Tong, W., D. R. Lowis, R. Perkins, Y. Chen, W. J. Welsh,, D. W. Goddette, T. W. Heritage and D. M. Sheehan (1998) Exaluation of quantitative structureactivity relationship methods for large-scale prediction of chemicals binding to the estrogen receptor. J. Chem. Inf. Comput. Sci. 38:669-677
|
26 |
Vedani, A. and M. Dobler (2002) 5D-QSAR: The key for simulating induced fit. J. Med. Chem., 45:2139-2149
|
27 |
성낙도, 유성재, 임치환, 赤松美紀(1998) 비스 방향족,-불포화 케톤 유도체 중 2- thienyl 및 2-furyl 치환체의 항균활성에 관한 비교분자장 분석(CoMFA), 한국농약과학회지 2(2):16-21
|
28 |
Klebe, G. (1998) Comparative molecular similarity indices analysis: CoMSIA Perspect, Drug Discovery Des. 12:87-104
|
29 |
Gasteiger, J. and M. Marsili (1980) Iterative partial equalization of orbital electro-negativity; a rapid access to atomic charges. Tetrahedron, 36:3219-3228
DOI
ScienceOn
|
30 |
Heritage T. W. and D. R. Lowis (1999) Molecular hologram QSAR. Ch. 4., In Rational drug design: Novel Methodology and Practical Applications (ed. Parrill, A. L. and M. R. Reddy), ACS Symposium Series 719, American Chemical Society. Washington, D.C
|
31 |
Hansch, C. and A. Leo (1995) Exploring QSAR: Fundamentals and Applications in Chemistry and Biologt. ACS Professional Reference Book, American Chemical Society, Washington, D.C
|
32 |
Gallop, M. A, R. W. Barrett, W. Dow., S. P. A Fodor and E. M. Gorden (1994) Applications of combinatoridal technologies to drug discovery. 1. Back ground and peptide combinatorial libraries, J. Med. Chem 37:1233 -1251
|
33 |
Waterbeemd, H. V. D. (1996) Design of bioactive compounds, Ch.1., In Structure-Property Correlations in Drug Research (ed. Waterbeemd, H. V. D.). Academic Press, R. G. Landes Co. Austin
|
34 |
Reddy, M. R. and A. L. Parrill (1999) Overview of rational drug design. In Rational Drug Design(ed. Reddy, M. R. and Parrill). Ch. 1., ACS Symposium Series 719, American Chemical Society, Washington, DC
|
35 |
Waterbeemd, H. V. D. (1992) The history of drug research: From Hansch to the present, Quant. Struct. Act. Relat. 11:200-204
|
36 |
Kim, K. H. (1993) Comparison of classical and 3D QSAR. pp.619-642, In 3D QSAR Drug Design Theory, Methods and Applications (ed. Kubinyi, H.) ESCOM. Leiden
|
37 |
Wexler, R. R., W. J. Greenlee, J. D. Irvin, M. R. Goldberg, K. Prendergast, R. D. Smith and P. B. Timmermans (1996) Nonpeptide angiotensin II receptor antagonists: The next generation in antihypertensive tberaphy, J. Med Chem, 39:625~56
|
38 |
David, R. and A. J. Hofinger (1994) Application of genetic function approximation to quantitative structureactivity relationships and quantitative structure-property relationships. J. Chem. Inf. Comput. Sci. 34:854-866
|
39 |
Malinowski, E. R. and D. G. Howery (1980) Factor Analyses in Chemistry. Wiely, New York
|
40 |
성낙도, 이희철 (2002b) 고추 역병균에 대한 3-pheny1-isoxazole과 3-pheny1-2,5-dihydrois-oxazol-5-one 유도체의 살균활성에 관한 비교 분자장 분석(CoMFA). 한국농약과학회지 6(2):72-79
|