SCOPUS 정보 검색 플랫폼

Journal of Computer-Aided Molecular Design

Volumn 23, Issue 4, 2009, Pages 253-259

ChemGPS-NPWeb: Chemical space navigation online

(6) Rosén, Josefin a Lövgren, Anders b Kogej, Thierry c Muresan, Sorel c Gottfries, Johan d Backlund, Anders a

a UPPSALA UNIVERSITY (Sweden)

b IT /Computing Department (Sweden)

c ASTRAZENECA R AND D (Sweden)

d Pharmnovo Inc (Sweden)

Author keywords

Biologically active compounds; ChemGPS NP; Chemical space; Drug discovery; Internet tool; Natural products

Indexed keywords

BIOACTIVITY; CHEMICAL ANALYSIS; DRUG PRODUCTS; MAPPING;

BIOLOGICALLY ACTIVE COMPOUNDS; CENTRAL SOURCE; CHEMGPS-NP; CHEMICAL SPACE; DRUG DISCOVERY; INFORMATION TOOLS; INTERNET TOOLS; NATURAL PRODUCTS; SPACE NAVIGATION; WEB BASED;

CLUSTER ANALYSIS;

BETALAIN; PROTEIN BCL 2; PYRUVATE KINASE;

ARTICLE; BIOASSAY; CHEMICAL STRUCTURE; CLUSTER ANALYSIS; COMPUTER PROGRAM; INTERNET; PRIORITY JOURNAL; PROTEIN INTERACTION;

EID: 61749098028 PISSN: 0920654X EISSN: 15734951 Source Type: Journal
DOI: 10.1007/s10822-008-9255-y Document Type: Article

Times cited : (96)

References (31)

1
- 27344449477
- doi: 10.1016/S1359-6446(05)03584-1
- Tetko IV (2005) Drug Discov Today 10:1497. doi: 10.1016/ S1359-6446(05)03584-1
- (2005) Drug Discov Today , vol.10 , pp. 1497
- Tetko, I.V.¹

2
- 27344459398
- doi: 10.1007/s10822-005-8694-y
- Tetko IV, Gasteiger J, Todeschini R et al (2005) J Comput Aided Mol Des 19:453. doi: 10.1007/s10822-005-8694-y
- (2005) J Comput Aided Mol Des , vol.19 , pp. 453
- Tetko, I.V.¹ Gasteiger, J.² Todeschini, R.³

3
- 23844513422
- doi: 10.1021/np049655u
- Larsson J, Gottfries J, Bohlin L et al (2005) J Nat Prod 68:985. doi: 10.1021/np049655u
- (2005) J Nat Prod , vol.68 , pp. 985
- Larsson, J.¹ Gottfries, J.² Bohlin, L.³

4
- 34250779428
- doi: 10.1021/np070002y
- Larsson J, Gottfries J, Muresan S et al (2007) J Nat Prod 70:789. doi: 10.1021/np070002y
- (2007) J Nat Prod , vol.70 , pp. 789
- Larsson, J.¹ Gottfries, J.² Muresan, S.³

5
- 0003826721
- 2nd edn. Umetrics AB, Umeå
- Eriksson L, Johansson E, Kettaneh-Wold N et al (2006) Multi- and megavariate data analysis part i basic principles and applications, 2nd edn. Umetrics AB, Umeå
- (2006) Multi- and Megavariate Data Analysis Part I Basic Principles and Applications
- Eriksson, L.¹ Johansson, E.² Kettaneh-Wold, N.³

6
- 0042202919
- doi: 10.1021/cc0000388
- Oprea TI, Gottfries J (2001) J Comb Chem 3:157. doi: 10.1021/cc0000388
- (2001) J Comb Chem , vol.3 , pp. 157
- Oprea, T.I.¹ Gottfries, J.²

7
- 33846871027
- doi: 10.1021/ci600338x
- Schuffenhauer A, Ertl P, Roggo S et al (2007) J Chem Inf Model 47:47. doi: 10.1021/ci600338x
- (2007) J Chem Inf Model , vol.47 , pp. 47
- Schuffenhauer, A.¹ Ertl, P.² Roggo, S.³

8
- 61749090446
- (submitted)
- Rosén J, Rickardson L, Backlund A et al (2008) QSAR Comb Sci (submitted)
- (2008) QSAR Comb Sci
- Rosén, J.¹ Rickardson, L.² Backlund, A.³

9
- 33746789921
- doi: 10.1073/pnas.0604348103
- Inglese J, Auld DS, Jadhav A et al (2006) Proc Natl Acad Sci USA 103:11473. doi: 10.1073/pnas.0604348103
- (2006) Proc Natl Acad Sci USA , vol.103 , pp. 11473
- Inglese, J.¹ Auld, D.S.² Jadhav, A.³

10
- 0032575688
- doi: 10.1126/science.281.5381.1322
- Adams JM, Cory S (1998) Science 281:1322. doi: 10.1126/ science.281.5381.1322
- (1998) Science , vol.281 , pp. 1322
- Adams, J.M.¹ Cory, S.²

11
- 0037068532
- doi: 10.1021/jm020155c
- Martin YC, Kofron JL, Traphagen LM (2002) J Med Chem 45:4350. doi: 10.1021/jm020155c
- (2002) J Med Chem , vol.45 , pp. 4350
- Martin, Y.C.¹ Kofron, J.L.² Traphagen, L.M.³

12
- 0028829466
- doi: 10.1016/0169-7439(94)00076-X
- de Aguiar PF, Bourguignon B, Khots MS et al (1995) Chemometr Intell Lab Syst 30:199. doi: 10.1016/0169-7439(94)00076-X
- (1995) Chemometr Intell Lab Syst , vol.30 , pp. 199
- de Aguiar, P.F.¹ Bourguignon, B.² Khots, M.S.³

13
- 20444476513
- doi: 10.1002/cem.901
- Olsson IM, Gottfries J, Wold S (2004) J Chemometr 18:548. doi: 10.1002/ cem.901
- (2004) J Chemometr , vol.18 , pp. 548
- Olsson, I.M.¹ Gottfries, J.² Wold, S.³

14
- 4143077454
- doi: 10.1016/j.chemolab.2004.04.001
- Olsson I-M, Gottfries J, Wold S (2004) Chemometr Intell Lab Syst 73:37. doi: 10.1016/j.chemolab.2004.04.001
- (2004) Chemometr Intell Lab Syst , vol.73 , pp. 37
- Olsson, I.-M.¹ Gottfries, J.² Wold, S.³

15
- 33745934443
- doi: 10.1146/annurev.arplant.57.032905.105248
- Grotewold E (2006) Annu Rev Plant Biol 57:761. doi: 10.1146/ annurev.arplant.57.032905.105248
- (2006) Annu Rev Plant Biol , vol.57 , pp. 761
- Grotewold, E.¹

16
- 0344088505
- doi: 10.1021/jf021045h
- Castellar R, Obon JM, Alacid M et al (2003) J Agric Food Chem 51:2772. doi: 10.1021/jf021045h
- (2003) J Agric Food Chem , vol.51 , pp. 2772
- Castellar, R.¹ Obon, J.M.² Alacid, M.³

17
- 0035181508
- doi: 10.1021/jf010456f
- Kanner J, Harel S, Granit R (2001) J Agric Food Chem 49:5178. doi: 10.1021/jf010456f
- (2001) J Agric Food Chem , vol.49 , pp. 5178
- Kanner, J.¹ Harel, S.² Granit, R.³

18
- 33947138154
- doi: 10.1080/10715760601038783
- Allegra M, Tesoriere L, Livrea MA (2007) Free Radic Res 41:335. doi: 10.1080/10715760601038783
- (2007) Free Radic Res , vol.41 , pp. 335
- Allegra, M.¹ Tesoriere, L.² Livrea, M.A.³

19
- 27644598454
- doi: 10.1002/ptr.1741
- Galati EM, Mondello MR, Lauriano ER et al (2005) Phytother Res 19:796. doi: 10.1002/ptr.1741
- (2005) Phytother Res , vol.19 , pp. 796
- Galati, E.M.¹ Mondello, M.R.² Lauriano, E.R.³

20
- 4344637798
- Tesoriere L, Butera D, Pintaudi AM et al (2004) Am J Clin Nutr 80:391
- (2004) Am J Clin Nutr , vol.80 , pp. 391
- Tesoriere, L.¹ Butera, D.² Pintaudi, A.M.³

21
- 0034186155
- doi: 10.1080/10408690091189257
- Delgado-Vargas F, Jimenez AR, Paredes-Lopez O (2000) Crit Rev Food Sci Nutr 40:173. doi: 10.1080/10408690091189257
- (2000) Crit Rev Food Sci Nutr , vol.40 , pp. 173
- Delgado-Vargas, F.¹ Jimenez, A.R.² Paredes-Lopez, O.³

22
- 0035831369
- doi: 10.1016/S0031-9422(00)00383-6
- Kobayashi N, Schmidt J, Wray V et al (2001) Phytochemistry 56:429. doi: 10.1016/S0031-9422(00)00383-6
- (2001) Phytochemistry , vol.56 , pp. 429
- Kobayashi, N.¹ Schmidt, J.² Wray, V.³

23
- 0037308033
- doi: 10.1016/S0031-9422(02)00564-2
- Strack D, Vogt T, Schliemann W (2003) Phytochemistry 62:247. doi: 10.1016/S0031-9422(02)00564-2
- (2003) Phytochemistry , vol.62 , pp. 247
- Strack, D.¹ Vogt, T.² Schliemann, W.³

24
- 0031080852
- doi: 10.1016/S0031-9422(96)00625-5
- Mueller LA, Hinz U, Zryd J-P (1997) Phytochemistry 44:567. doi: 10.1016/ S0031-9422(96)00625-5
- (1997) Phytochemistry , vol.44 , pp. 567
- Mueller, L.A.¹ Hinz, U.² Zryd, J.-P.³

25
- 61749096605
- Linux version-2007. Accessed 15 November 2008
- Talete sr L, Dragon X (2008) Software for molecular descriptor calculations. Linux version-2007. http://www.talete.mi.it/. Accessed 15 November 2008
- (2008) Software for Molecular Descriptor Calculations
- Talete Sr., L.¹ Dragon, X.²

26
- 61749091882
- SIMCA-QP software Umetrics AB Umeå, Sweden. Accessed 15 November 2008
- SIMCA-QP software Umetrics AB (2008) Umeå, Sweden. http://www.umetrics.com/. Accessed 15 November 2008
- (2008)

27
- 61749102994
- Batchelor Accessed 15 November 2008
- Batchelor (2008) http://it.bmc.uu.se/andlov/proj/batchelor/. Accessed 15 November 2008
- (2008)

28
- 0023965741
- doi: 10.1021/ci00057a005
- Weininger D (1988) J Chem Inf Comput Sci 28:31. doi: 10.1021/ci00057a005
- (1988) J Chem Inf Comput Sci , vol.28 , pp. 31
- Weininger, D.¹

29
- 0030039619
- doi: 10.1002/(SICI)1098-1128(199601)16:1<3::AID-MED1>3.0.CO;2-6
- Bohacek RS, McMartin C, Guida WC (1996) Med Res Rev 16:3. doi: 10.1002/ (SICI)1098-1128(199601)16:1<3::AID-MED1>3.0.CO;2-6
- (1996) Med Res Rev , vol.16 , pp. 3
- Bohacek, R.S.¹ McMartin, C.² Guida, W.C.³

30
- 0025183708
- Altschul SF, Gish W, Miller W et al (1990) J Mol Biol 215:403
- (1990) J Mol Biol , vol.215 , pp. 403
- Altschul, S.F.¹ Gish, W.² Miller, W.³

31
- 0342645323
- doi: 10.1021/ci9501047
- Brown RD, Martin YC (1996) J Chem Inf Model 36:572. doi: 10.1021/ ci9501047
- (1996) J Chem Inf Model , vol.36 , pp. 572
- Brown, R.D.¹ Martin, Y.C.²

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.