-
1
-
-
0030278229
-
Locating biologically active compounds in medium-sized heterogeneous datasets by topological autocorrelation vectors: Dopamine and benzodiazepine agonists
-
H Bauknecht A Zell H Bayer P Levi M Wagener J Sadowski J Gasteiger 1994 Locating biologically active compounds in medium-sized heterogeneous datasets by topological autocorrelation vectors: dopamine and benzodiazepine agonists J Chem Inf Comput Sci 36 1205 1213
-
(1994)
J Chem Inf Comput Sci
, vol.36
, pp. 1205-1213
-
-
Bauknecht, H.1
Zell, A.2
Bayer, H.3
Levi, P.4
Wagener, M.5
Sadowski, J.6
Gasteiger, J.7
-
2
-
-
33644986999
-
Synthesis and SAR studies of very potent imidazopyridine antiprotozoal agents
-
1:CAS:528:DC%2BD28XislCgs74%3D 10.1016/j.bmcl.2006.01.092 16464591
-
T Biftu D Feng M Fishe GB Liang XX Qian A Scribne R Dennis S Lee PA Liberato C Brown A Gurnett PS Leavitt D Thompson J Mathew A Misura S Samaras T Tamas JF Sina KA McNulty CG McKnight DM Schmatz M Wyvratt 2006 Synthesis and SAR studies of very potent imidazopyridine antiprotozoal agents Bioorg Med Chem Lett 16 2479 2483 1:CAS:528:DC%2BD28XislCgs74%3D 10.1016/j.bmcl.2006.01.092 16464591
-
(2006)
Bioorg Med Chem Lett
, vol.16
, pp. 2479-2483
-
-
Biftu, T.1
Feng, D.2
Fishe, M.3
Liang, G.B.4
Qian, X.X.5
Scribne, A.6
Dennis, R.7
Lee, S.8
Liberato, P.A.9
Brown, C.10
Gurnett, A.11
Leavitt, P.S.12
Thompson, D.13
Mathew, J.14
Misura, A.15
Samaras, S.16
Tamas, T.17
Sina, J.F.18
McNulty, K.A.19
McKnight, C.G.20
Schmatz, D.M.21
Wyvratt, M.22
more..
-
3
-
-
33646488015
-
2D Autocorrelation modeling of the negative inotropic activity of calcium entry blockers using Bayesian-regularized genetic neural networks
-
1:CAS:528:DC%2BD28XjtFGjtbw%3D 10.1016/j.bmc.2005.12.048 16442799
-
J Caballero M Garriga M Fernández 2006 2D Autocorrelation modeling of the negative inotropic activity of calcium entry blockers using Bayesian-regularized genetic neural networks Bioorg Med Chem 14 3330 3340 1:CAS:528:DC%2BD28XjtFGjtbw%3D 10.1016/j.bmc.2005.12.048 16442799
-
(2006)
Bioorg Med Chem
, vol.14
, pp. 3330-3340
-
-
Caballero, J.1
Garriga, M.2
Fernández, M.3
-
4
-
-
44449158893
-
Structural requirements of pyrido[2,3-d]pyrimidin-7-one as CDK4/D inhibitors: 2D autocorrelation, CoMFA and CoMSIA analyses
-
DOI 10.1016/j.bmc.2008.04.048, PII S0968089608003696
-
J Caballero M Fernández FD González-Nil 2008 Structural requirements of pyrido[2,3-d]pyrimidin-7-one as CDK4/D inhibitors: 2D autocorrelation, CoMFA and CoMSIA analyses Bioorg Med Chem 16 6103 6115 1:CAS:528:DC%2BD1cXmvFegtLg%3D 10.1016/j.bmc.2008.04.048 18468903 (Pubitemid 351766716)
-
(2008)
Bioorganic and Medicinal Chemistry
, vol.16
, Issue.11
, pp. 6103-6115
-
-
Caballero, J.1
Fernandez, M.2
Gonzalez-Nilo, F.D.3
-
5
-
-
0001512111
-
Structure-musk odour relationship studies of tetralin and indan compounds using neural networks
-
1:CAS:528:DyaK1cXltFyltLc%3D 10.1039/a709269e
-
D Cherqaoui M Esseffar D Villemin JM Cense M Chastrette D Zakarya 1998 Structure-musk odour relationship studies of tetralin and indan compounds using neural networks New J Chem 22 839 843 1:CAS:528:DyaK1cXltFyltLc%3D 10.1039/a709269e
-
(1998)
New J Chem
, vol.22
, pp. 839-843
-
-
Cherqaoui, D.1
Esseffar, M.2
Villemin, D.3
Cense, J.M.4
Chastrette, M.5
Zakarya, D.6
-
7
-
-
14444283889
-
Discovery and evaluation of a series of 3-acylindole imidazopyridine platelet-activating factor antagonists
-
DOI 10.1021/jm970389+
-
ML Curtin SK Davidsen HR Heyman RB Garland GS Sheppard AS Florjancic LH Xu GM Carrera DH Steinman JA Trautmann DH Albert TJ Magoc P Tapang DA Rhein RG Conway GJ Luo JF Denissen KC Marsh DW Morgan JB Summers 1998 Discovery and evaluation of a series of 3-acylindole imidazopyridine platelet-activating factor antagonists J Med Chem 41 74 95 1:CAS:528:DyaK1cXlvQ%3D%3D 10.1021/jm970389+ 9438024 (Pubitemid 28070469)
-
(1998)
Journal of Medicinal Chemistry
, vol.41
, Issue.1
, pp. 74-95
-
-
Curtin, M.L.1
Davidsen, S.K.2
Heyman, H.R.3
Garland, R.B.4
Sheppard, G.S.5
Florjancic, A.S.6
Xu, L.7
Carrera Jr., G.M.8
Steinman, D.H.9
Trautmann, J.A.10
Albert, D.H.11
Magoc, T.J.12
Tapang, P.13
Rhein, D.A.14
Conway, R.G.15
Luo, G.16
Denissen, J.F.17
Marsh, K.C.18
Morgan, D.W.19
Summers, J.B.20
more..
-
8
-
-
76449119392
-
Computational studies of new 1,4-dihydropyridines containing 4-(5)-chloro-2-ethyl-5-(4)-imidazolyl substituent: QSAR and docking
-
doi: 10.1007/s00044-009-9171-2
-
Davood A, Nematollahi A, Iman M, Shafiee A (2009) Computational studies of new 1,4-dihydropyridines containing 4-(5)-chloro-2-ethyl-5-(4)-imidazolyl substituent: QSAR and docking, Med Chem Res. doi: 10.1007/s00044-009-9171-2
-
(2009)
Med Chem Res
-
-
Davood, A.1
Nematollahi, A.2
Iman, M.3
Shafiee, A.4
-
9
-
-
31144470616
-
Characterization of Plasmodium falciparum cGMP-dependent protein kinase (PfPKG): Antiparasitic activity of a PKG inhibitor
-
DOI 10.1016/j.molbiopara.2005.10.020, PII S0166685105003336
-
CA Diaz J Allocco MA Powles L Yeung RGK Donald JW Anderson PA Liberator 2006 Characterization of Plasmodium falciparum cGMP-dependent protein kinase (PfPKG): antiparasitic activity of a PKG inhibitor Mol Biochem Parasitol 146 78 88 1:CAS:528:DC%2BD28Xnslymtg%3D%3D 10.1016/j.molbiopara.2005.10.020 16325279 (Pubitemid 43132805)
-
(2006)
Molecular and Biochemical Parasitology
, vol.146
, Issue.1
, pp. 78-88
-
-
Diaz, C.A.1
Allocco, J.2
Powles, M.A.3
Yeung, L.4
Donald, R.G.K.5
Anderson, J.W.6
Liberator, P.A.7
-
10
-
-
60149103666
-
QSAR analysis of salicylamide isosteres with the use of quantum chemical molecular descriptors
-
10.1016/j.ejmech.2008.04.020 18547684
-
R Doležal SV Damme P Bultinck K Waisser 2009 QSAR analysis of salicylamide isosteres with the use of quantum chemical molecular descriptors Eur J Med Chem 44 869 876 10.1016/j.ejmech.2008.04.020 18547684
-
(2009)
Eur J Med Chem
, vol.44
, pp. 869-876
-
-
Doležal, R.1
Damme, S.V.2
Bultinck, P.3
Waisser, K.4
-
11
-
-
0036616356
-
Toxoplasma gondii cyclic GMP-dependent kinase: Chemotherapeutic targeting of an essential parasite protein kinase
-
DOI 10.1128/EC.1.3.317-328.2002
-
RGK Donald J Allocco SB Singh B Nare SP Salowe J Wiltsie PA Liberator 2002 Toxoplasma gondii cyclic GMP-dependent kinase: chemotherapeutic targeting of an essential parasite protein kinase Eukaryot Cell 1 317 328 1:CAS:528:DC%2BD38XkvVWlsr8%3D 10.1128/EC.1.3.317-328.2002 12455981 (Pubitemid 36557742)
-
(2002)
Eukaryotic Cell
, vol.1
, Issue.3
, pp. 317-328
-
-
Donald, R.G.K.1
Allocco, J.2
Singh, S.B.3
Nare, B.4
Salowe, S.P.5
Wiltsie, J.6
Liberator, P.A.7
-
12
-
-
0028910865
-
A QSAR study of the biological activities of some benzimidazoles and imidazopyridines against Bacillus subtilis
-
1:CAS:528:DyaK2MXltVKkuro%3D 10.1016/0223-5234(96)88223-7
-
H Ertepinar Y Gök Ö Geban SÖ Zden 1995 A QSAR study of the biological activities of some benzimidazoles and imidazopyridines against Bacillus subtilis Eur J Med Chem 30 171 175 1:CAS:528:DyaK2MXltVKkuro%3D 10.1016/0223-5234(96)88223-7
-
(1995)
Eur J Med Chem
, vol.30
, pp. 171-175
-
-
Ertepinar, H.1
Gök, Y.2
Geban, Ö.3
Zden, S.Ö.4
-
13
-
-
16244394858
-
Quantitative structure-activity relationship to predict differential inhibition of aldose reductase by flavonoid compounds
-
DOI 10.1016/j.bmc.2005.02.038
-
M Fernández J Caballero AH Morales EA Castro MP González 2005 Quantitative structure-activity relationship to predict differential inhibition of aldose reductase by flavonoid compounds Bioorg Med Chem 13 3269 3277 10.1016/j.bmc.2005.02.038 15809162 (Pubitemid 40462128)
-
(2005)
Bioorganic and Medicinal Chemistry
, vol.13
, Issue.9
, pp. 3269-3277
-
-
Fernandez, M.1
Caballero, J.2
Helguera, A.M.3
Castro, E.A.4
Gonzalez, M.P.5
-
14
-
-
0000960565
-
The contiguity ratio and statistical mapping
-
10.2307/2986645
-
RF Geary 1954 The contiguity ratio and statistical mapping Incorp Stat 5 115 145 10.2307/2986645
-
(1954)
Incorp Stat
, vol.5
, pp. 115-145
-
-
Geary, R.F.1
-
15
-
-
0037013273
-
Purification and molecular characterization of cGMP-dependent protein kinase from Apicomplexan parasites. A novel chemotherapeutic target
-
DOI 10.1074/jbc.M108393200
-
AM Gurnett PA Liberator PM Dulski SP Salowe RGK Donald JW Anderson J Wiltsie CA Diaz G Harris B Chang SJ Darkin-Rattray B Nare T Crumley PS Blum AS Misura T Tamas MK Sardana J Yuan T Biftu DM Schmatz 2002 Purification and molecular characterization of cGMP-dependent protein kinase from Apicomplexan paras J Biol Chem 277 15913 15922 1:CAS:528:DC%2BD38Xjs1Wjtrs%3D 10.1074/jbc.M108393200 11834729 (Pubitemid 34967872)
-
(2002)
Journal of Biological Chemistry
, vol.277
, Issue.18
, pp. 15913-15922
-
-
Gurnett, A.M.1
Liberator, P.A.2
Dulski, P.M.3
Salowe, S.P.4
Donald, R.G.K.5
Anderson, J.W.6
Wiltsie, J.7
Diaz, C.A.8
Harris, G.9
Chang, B.10
Darkin-Rattray, S.J.11
Nare, B.12
Crumley, T.13
Blum, P.S.14
Misura, A.S.15
Tamas, T.16
Sardana, M.K.17
Yuan, J.18
Biftu, T.19
Schmatz, D.M.20
more..
-
18
-
-
73449143145
-
Comparative QSTR study of saturated alcohols based on topological, constitutional, geometrical, and getaway descriptors
-
doi: 10.1007/s00044-009-9166-z
-
Khan AKR, Sahu VK, Singh RK, Khan SA (2009) Comparative QSTR study of saturated alcohols based on topological, constitutional, geometrical, and getaway descriptors. Med Chem Res. doi: 10.1007/s00044-009-9166-z
-
(2009)
Med Chem Res
-
-
Akr, K.1
Sahu, V.K.2
Singh, R.K.3
Khan, S.A.4
-
19
-
-
70350344999
-
Pattern recognition in chemistry
-
Krishnaiah PR, Kanal LN (eds) North-Holland, Amsterdam
-
Kowalski RB, Wold S (1982) Pattern recognition in chemistry. In: Krishnaiah PR, Kanal LN (eds) Handbook of statistics. North-Holland, Amsterdam, pp 673-677
-
(1982)
Handbook of Statistics
, pp. 673-677
-
-
Kowalski, R.B.1
Wold, S.2
-
20
-
-
0028046665
-
Variable selection in QSAR studies. I. An evolutionary algorithm
-
1:CAS:528:DyaK2MXitlOhsrc%3D
-
H Kubinyi 1994 Variable selection in QSAR studies. I. An evolutionary algorithm Quant Struct Act Relat 13 285 294 1:CAS:528:DyaK2MXitlOhsrc%3D
-
(1994)
Quant Struct Act Relat
, vol.13
, pp. 285-294
-
-
Kubinyi, H.1
-
21
-
-
0028597381
-
Variable selection in QSAR studies. II. A highly efficient combination of systematic search and evolution
-
1:CAS:528:DyaK2MXjsleqtbw%3D
-
H Kubinyi 1994 Variable selection in QSAR studies. II. A highly efficient combination of systematic search and evolution Quant Struct Act Relat 13 393 401 1:CAS:528:DyaK2MXjsleqtbw%3D
-
(1994)
Quant Struct Act Relat
, vol.13
, pp. 393-401
-
-
Kubinyi, H.1
-
22
-
-
33745214233
-
Mixed-type noncompetitive inhibition of anthrax lethal factor protease by aminoglycosides
-
1:CAS:528:DC%2BD28XnvFais7c%3D 10.1111/j.1742-4658.2006.05316.x 16817854
-
P Kuzmic L Cregar SZ Millis M Goldman 2006 Mixed-type noncompetitive inhibition of anthrax lethal factor protease by aminoglycosides FEBS J 273 3054 3062 1:CAS:528:DC%2BD28XnvFais7c%3D 10.1111/j.1742-4658.2006.05316.x 16817854
-
(2006)
FEBS J
, vol.273
, pp. 3054-3062
-
-
Kuzmic, P.1
Cregar, L.2
Millis, S.Z.3
Goldman, M.4
-
23
-
-
61349184332
-
Determination and prediction of xenoestrogens by recombinant yeast-based assay and QSAR
-
1:CAS:528:DC%2BD1MXitVygsLs%3D 10.1016/j.chemosphere.2008.11.081 19136139
-
F Li JW Chen ZJ Wang J Li XL Qiao 2009 Determination and prediction of xenoestrogens by recombinant yeast-based assay and QSAR Chemosphere 74 1152 1157 1:CAS:528:DC%2BD1MXitVygsLs%3D 10.1016/j.chemosphere.2008.11.081 19136139
-
(2009)
Chemosphere
, vol.74
, pp. 1152-1157
-
-
Li, F.1
Chen, J.W.2
Wang, Z.J.3
Li, J.4
Qiao, X.L.5
-
24
-
-
34250183862
-
Synthesis and SAR studies of potent imidazopyridine anticoccidial agents
-
DOI 10.1016/j.bmcl.2007.04.041, PII S0960894X07004714
-
GB Liang XX Qian D Feng M Fishe CM Brown A Gurnett PS Leavitt PA Liberato AS Misura T Tamas DM Schmatz M Wyvratt T Biftu 2007 Synthesis and SAR studies of potent imidazopyridine anticoccidial agents Bioorg Med Chem Lett 17 3558 3561 1:CAS:528:DC%2BD2sXmsFait78%3D 10.1016/j.bmcl.2007.04.041 17475489 (Pubitemid 46898809)
-
(2007)
Bioorganic and Medicinal Chemistry Letters
, vol.17
, Issue.13
, pp. 3558-3561
-
-
Liang, G.-B.1
Qian, X.2
Feng, D.3
Fisher, M.4
Brown, C.M.5
Gurnett, A.6
Leavitt, P.S.7
Liberator, P.A.8
Misura, A.S.9
Tamas, T.10
Schmatz, D.M.11
Wyvratt, M.12
Biftu, T.13
-
25
-
-
43849096919
-
Modified and enhanced replacement method for the selection of molecular descriptors in QSAR and QSPR theories
-
1:CAS:528:DC%2BD1cXmt1OitLc%3D 10.1016/j.chemolab.2008.02.005
-
AG Mercader PR Duchowicz FM Fernández EA Castro 2008 Modified and enhanced replacement method for the selection of molecular descriptors in QSAR and QSPR theories Chemometr Intell Lab 92 138 144 1:CAS:528:DC%2BD1cXmt1OitLc%3D 10.1016/j.chemolab.2008.02.005
-
(2008)
Chemometr Intell Lab
, vol.92
, pp. 138-144
-
-
Mercader, A.G.1
Duchowicz, P.R.2
Fernández, F.M.3
Castro, E.A.4
-
26
-
-
76549254593
-
Notes on continuous stochastic phenomena
-
1:STN:280:DyaG3c%2FivFyktQ%3D%3D 15420245
-
PAP Moran 1950 Notes on continuous stochastic phenomena Biometrika 37 17 23 1:STN:280:DyaG3c%2FivFyktQ%3D%3D 15420245
-
(1950)
Biometrika
, vol.37
, pp. 17-23
-
-
Moran, P.A.P.1
-
27
-
-
0001057103
-
The autocorrelation of a topological structure: A new molecular descriptor
-
1:CAS:528:DyaL3cXkvVSlt74%3D
-
G Moreau P Broto 1980 The autocorrelation of a topological structure: a new molecular descriptor Nouv J Chim 4 359 360 1:CAS:528:DyaL3cXkvVSlt74%3D
-
(1980)
Nouv J Chim
, vol.4
, pp. 359-360
-
-
Moreau, G.1
Broto, P.2
-
28
-
-
18344371476
-
Kohonen network study of aromatic compounds based on electronic and nonelectronic structure descriptors
-
DOI 10.1021/ci049752t
-
JJ Panek A Jezierska M Vračko 2005 Kohonen network study of aromatic compounds based on electronic and nonelectronic structure descriptors J Chem Inf Model 45 264 272 1:CAS:528:DC%2BD2MXmsVSktg%3D%3D 10.1021/ci049752t 15807487 (Pubitemid 40635330)
-
(2005)
Journal of Chemical Information and Modeling
, vol.45
, Issue.2
, pp. 264-272
-
-
Panek, J.J.1
Jezierska, A.2
Vracko, M.3
-
30
-
-
34047274246
-
2D-autocorrelation descriptors for predicting cytotoxicity of naphthoquinone ester derivatives against oral human epidermoid carcinoma
-
DOI 10.1016/j.bmc.2007.02.032, PII S0968089607001538
-
L Saíz-Urra MP González M Teijeira 2007 2D-autocorrelation descriptors for predicting cytotoxicity of naphthoquinone ester derivatives against oral human epidermoid carcinoma Bioorg Med Chem 15 3565 3571 10.1016/j.bmc.2007.02.032 17368033 (Pubitemid 46546633)
-
(2007)
Bioorganic and Medicinal Chemistry
, vol.15
, Issue.10
, pp. 3565-3571
-
-
Saiz-Urra, L.1
Perez Gonzalez, M.2
Teijeira, M.3
-
31
-
-
0037006990
-
The role of a parasite-specific allosteric site in the distinctive activation behavior of Eimeria tenella cGMP-dependent protein kinase
-
DOI 10.1021/bi0156658
-
SP Salowe J Wiltsie PA Liberator RGK Donald 2002 The role of a parasite-specific allosteric site in the distinctive activation behavior of Eimeria tenella cGMP-dependent protein kinase Biochemistry 41 4385 4391 1:CAS:528:DC%2BD38Xhslamtbg%3D 10.1021/bi0156658 11914085 (Pubitemid 34259882)
-
(2002)
Biochemistry
, vol.41
, Issue.13
, pp. 4385-4391
-
-
Salowe, S.P.1
Wiltsie, J.2
Liberator, P.A.3
Donald, R.G.K.4
-
32
-
-
36248942567
-
Synthesis and biological activity of imidazopyridine anticoccidial agents: Part I
-
DOI 10.1016/j.ejmech.2007.02.006, PII S0223523407001031
-
A Scribner R Dennis J Hong S Lee D McIntyre D Perrey D Feng M Fisher M Wyvratt P Leavitt P Liberator A Gurnett C Brown J Mathew D Thompson D Schmatz T Biftu 2007 Synthesis and biological activity of imidazopyridine anticoccidial agents: part I Eur J Med Chem 42 1334 1357 1:CAS:528:DC%2BD2sXhtlKrsrvJ 10.1016/j.ejmech.2007.02.006 17433505 (Pubitemid 350137569)
-
(2007)
European Journal of Medicinal Chemistry
, vol.42
, Issue.11-12
, pp. 1334-1357
-
-
Scribner, A.1
Dennis, R.2
Hong, J.3
Lee, S.4
McIntyre, D.5
Perrey, D.6
Feng, D.7
Fisher, M.8
Wyvratt, M.9
Leavitt, P.10
Liberator, P.11
Gurnett, A.12
Brown, C.13
Mathew, J.14
Thompson, D.15
Schmatz, D.16
Biftu, T.17
-
33
-
-
44349105853
-
Synthesis and biological activity of imidazopyridine anticoccidial agents: Part II
-
DOI 10.1016/j.ejmech.2007.09.013, PII S022352340700356X
-
A Scribner R Dennis S Lee G Ouvry D Perrey M Fisher M Wyvratt P Leavitt P Liberator A Gurnett C Brown J Mathew D Thompson D Schmatz T Biftu 2008 Synthesis and biological activity of imidazopyridine anticoccidial agents: part II Eur J Med Chem 43 1123 1151 1:CAS:528:DC%2BD1cXms1ylur0%3D 10.1016/j.ejmech.2007.09.013 17981367 (Pubitemid 351734561)
-
(2008)
European Journal of Medicinal Chemistry
, vol.43
, Issue.6
, pp. 1123-1151
-
-
Scribner, A.1
Dennis, R.2
Lee, S.3
Ouvry, G.4
Perrey, D.5
Fisher, M.6
Wyvratt, M.7
Leavitt, P.8
Liberator, P.9
Gurnett, A.10
Brown, C.11
Mathew, J.12
Thompson, D.13
Schmatz, D.14
Biftu, T.15
-
34
-
-
54049104416
-
QSAR study about ATP-sensitive potassium channel activation of cromakalim analogues using CP-MLR approach
-
1:CAS:528:DC%2BD1cXht12ku7vM 10.1016/j.ejmech.2008.01.020 18353509
-
S Sharma YS Prabhakar P Singh BK Sharma 2008 QSAR study about ATP-sensitive potassium channel activation of cromakalim analogues using CP-MLR approach Eur J Med Chem 43 2354 2360 1:CAS:528:DC%2BD1cXht12ku7vM 10.1016/j.ejmech.2008.01.020 18353509
-
(2008)
Eur J Med Chem
, vol.43
, pp. 2354-2360
-
-
Sharma, S.1
Prabhakar, Y.S.2
Singh, P.3
Sharma, B.K.4
|