SCOPUS 정보 검색 플랫폼

Journal of Computer-Aided Molecular Design

Volumn 8, Issue 6, 1994, Pages 635-652

Compass: A shape-based machine learning tool for drug design

(8) Jain, Ajay N a Dietterich, Thomas G a,b Lathrop, Richard H a,c Chapman, David a Critchlow Jr , Roger E a Bauer, Barr E a Webster, Teresa A a,d Lozano Perez, Tomas a,c

a Arris Pharmaceutical Corporation (United States)

b OREGON STATE UNIVERSITY (United States)

c MASSACHUSETTS INSTITUTE OF TECHNOLOGY (United States)

d STANFORD UNIVERSITY (United States)

Author keywords

Automated prediction; Ligand binding; Molecular recognition; Molecular shape; QSAR

Indexed keywords

MONOUNSATURATED FATTY ACID; MUSK;

ALGORITHM; ARTICLE; ARTIFICIAL NEURAL NETWORK; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER AIDED DESIGN; COMPUTER PROGRAM; CONFORMATION; DRUG DESIGN; HUMAN; ODOR;

ALGORITHMS; COMPUTER-AIDED DESIGN; DRUG DESIGN; FATTY ACIDS, MONOUNSATURATED; HUMAN; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; NEURAL NETWORKS (COMPUTER); ODORS; SOFTWARE; SUPPORT, NON-U.S. GOV'T;

EID: 0028706933 PISSN: 0920654X EISSN: 15734951 Source Type: Journal
DOI: 10.1007/BF00124012 Document Type: Article

Times cited : (102)

References (32)

2
- 0027522358
- (1993) Science , vol.259 , pp. 1445
- Shoichet, B.K.¹ Stroud, R.M.² Santi, D.V.³ Kuntz, I.D.⁴ Perry, K.M.⁵

3
- 0022485091
- (1986) J. Med. Chem. , vol.29 , pp. 899
- Sheridan, R.P.¹ Nilakantan, R.² Dixon, J.S.³ Venkataraghavan, R.⁴

4
- 33847086085
- (1980) J. Am. Chem. Soc. , vol.102 , pp. 7196
- Hopfinger, A.J.¹

5
- 0022650016
- (1986) Chem. Senses. , vol.11 , pp. 145
- Narvaez, J.N.¹ Lavine, B.K.² Jurs, P.C.³

6
- 0025871440
- (1991) Chem. Senses , vol.16 , pp. 319
- Yoshii, F.¹ Liu, Q.² Hirono, S.³ Moriguchi, I.⁴

7
- 79959558837
- E.C., Olsen, R.C., Christoffersen, American Chemical Society, Washington, DC
- (1979) Computer-assisted Drug Design
- Marshall, G.R.¹ Barry, C.D.² Bosshard, H.E.³ Dammkoehler, R.A.⁴ Dunn, D.A.⁵

8
- 84935387969
- Hypotheses in Catalyst., BioCAD Corporation, Mountain View, CA, 1992.

9
- 84935387972
- Conformational Analysis in Catalyst., BioCAD Corporation, Mountain View, CA, 1992.

10
- 0021909257
- (1985) J. Med. Chem. , vol.28 , pp. 333
- Ghose, A.K.¹ Crippen, G.M.²

11
- 0023751431
- (1988) J. Am. Chem. Soc. , vol.110 , pp. 5959
- Cramer, R.D.¹ Patterson, D.E.² Bunce, J.D.³

12
- 0027518573
- (1993) J. Med. Chem. , vol.36 , pp. 433
- Good, A.G.¹ So, S.² Richards, W.G.³

13
- 0025825726
- (1991) Cell , vol.65 , pp. 175
- Buck, L.¹ Axel, R.²

14
- 0000128455
- (1991) New J. Chem. , vol.15 , pp. 307
- Bersuker, I.B.¹ Dimoglo, A.S.² Gorbachov³ Vlad, P.F.⁴ Pesaro, M.⁵

15
- 0017527664
- (1977) J. Agr. Food Chem. , vol.25 , pp. 1158
- Brugger, W.E.¹ Jurs, P.C.²

16
- 0022353933
- (1985) Chem. Senses , vol.10 , pp. 491
- Ham, C.L.¹ Jurs, P.C.²

17
- 0022834284
- (1986) Eur. J. Med. Chem. , vol.21 , pp. 505
- Chastrette, M.¹ Zakarya, D.² Elmouaffek, A.³

18
- 0025997147
- (1991) Eur. J. Med. Chem. , vol.26 , pp. 829
- Chastrette, M.¹ De Saint Laumer, J.-Y.²

19
- 0000909504
- New aromatic musk odorants: Design and synthesis
- (1989) Helvetica Chimica Acta , vol.72 , pp. 1537
- Fehr, C.¹ Galindo, J.² Haubrichs, R.³ Perret, R.⁴

20
- 0003444646
- D.E., Rumelhart, J.L., McClelland, The PDP Research Group, MIT Press/Bradford, Cambridge, MA
- (1986) Parallel Distributed Processing: Explorations in the Microstructure of Cognition, Vol. 1: Foundations
- Rumelhart, D.E.¹ Hinton, G.E.² Willia, R.J.³

21
- 0004253058
- I.N., Kugelmass, Ch.C. Thomas, Springfield, IL
- (1970) Molecular Basis of Odor
- Amoore, J.E.¹

22
- 0022479692
- (1986) Experientia , vol.42 , pp. 271
- Ohloff, G.¹

23
- 0003529052
- Applied Science Publishers, London
- (1978) Structure-Activity Relationships in Human Chemoreception
- Beets, M.G.J.¹

24
- 0001932545
- (1967) J. Agr. Food Chem. , vol.15 , pp. 6
- Theimer, E.T.¹ Davies, J.T.²

25
- 0026019351
- (1991) Chem. Senses , vol.16 , pp. 81
- Chastrette, M.¹ De Saint Laumer, J.-Y.² Sauvegrain, P.³

26
- 0043162336
- (1989) J. Am. Chem. Soc. , vol.111 , pp. 4379
- Chang, G.¹ Guida, W.C.² Still, W.C.³

27
- 84986437005
- Macromodel?an integrated software system for modeling organic and bioorganic molecules using molecular mechanics
- (1990) Journal of Computational Chemistry , vol.11 , pp. 440
- Mohamadi, F.¹ Richards, N.G.J.² Guida, W.C.³ Liskamp, R.M.J.⁴ Lipton, M.A.⁵ Caufield, C.E.⁶ Change, G.⁷ Hendrickson, T.⁸ Still, W.C.⁹

28
- 84988053694
- (1986) J. Comput. Chem. , vol.1 , pp. 230
- Weiner, S.J.¹ Kollman, P.A.² Nguyen, D.³ Case, D.A.⁴

29
- 0004253745
- D., Schild, NATO ASI Series, Vol. H39, Springer, Berlin
- (1990) Chemosensory Information Processing
- Chastrette, M.¹

30
- 0021375074
- (1984) J. Am. Chem. Soc. , vol.106 , pp. 1018
- Murray-Rust, P.¹ Glusker, J.P.²

31
- 0000538815
- Analytical molecular surface calculation
- (1983) Journal of Applied Crystallography , vol.16 , pp. 548
- Connolly, M.J.¹

32
- 0027930292
- (1994) J. Med. Chem. , vol.37 , pp. 2315
- Jain, A.N.¹ Koile, K.² Chapman, D.³

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.