-
1
-
-
29044446100
-
Quantitative study of the structure-retention index relationship in the imine family
-
Acevedo-Martinez J, Escalona-Arranz JC, Villar-Rojas A, Tellez-Palmero F, Perez-Roses R, Gonzalez L, Carrasco-Velar R (2006) Quantitative study of the structure-retention index relationship in the imine family. J Chromatogr A 1102:238-244
-
(2006)
J Chromatogr A
, vol.1102
, pp. 238-244
-
-
Acevedo-Martinez, J.1
Escalona-Arranz, J.C.2
Villar-Rojas, A.3
Tellez-Palmero, F.4
Perez-Roses, R.5
Gonzalez, L.6
Carrasco-Velar, R.7
-
2
-
-
33747174628
-
A novel QSAR model for predicting induction of apoptosis by 4-aryl-4H-chromens
-
Afantitis A, Melagraki G, Sarimveis H, Koutentis PA, Markopoulos J, Igglessi-Markopoulou O (2006) A novel QSAR model for predicting induction of apoptosis by 4-aryl-4H-chromens. Bioorg Med Chem 14:6686-6694
-
(2006)
Bioorg Med Chem
, vol.14
, pp. 6686-6694
-
-
Afantitis, A.1
Melagraki, G.2
Sarimveis, H.3
Koutentis, P.A.4
Markopoulos, J.5
Igglessi-Markopoulou, O.6
-
3
-
-
79955653069
-
Exploring nonlinear relationships in chemical data using kernel-based methods
-
Cao D, Liang Y, Xu Q, Hu Q, Zhang L, Fu G (2011) Exploring nonlinear relationships in chemical data using kernel-based methods. Chem Intel Lab Sys 107:106-115
-
(2011)
Chem Intel Lab Sys
, vol.107
, pp. 106-115
-
-
Cao, D.1
Liang, Y.2
Xu, Q.3
Hu, Q.4
Zhang, L.5
Fu, G.6
-
4
-
-
0034648775
-
Genetic algorithms applied to the selection of factors in principal component regression
-
Depczynski U, Frost VJ, Molt K (2000) Genetic algorithms applied to the selection of factors in principal component regression. Anal Chim Acta 420:217-227
-
(2000)
Anal Chim Acta
, vol.420
, pp. 217-227
-
-
Depczynski, U.1
Frost, V.J.2
Molt, K.3
-
5
-
-
20444450841
-
Determination of aromatic hydrocarbons in gasolines by flow modulated comprehensive twodimensional gas chromatography
-
Diehl JW, Sanzo FPD (2005) Determination of aromatic hydrocarbons in gasolines by flow modulated comprehensive twodimensional gas chromatography. J Chromat A 1080:157-165
-
(2005)
J Chromat A
, vol.1080
, pp. 157-165
-
-
Diehl, J.W.1
Sanzo, F.P.D.2
-
6
-
-
77957804992
-
Role of physicochemical properties and ligand lipophilicity efficiency in addressing drug safety risks
-
Edwards MP, Price DA (2010) Role of physicochemical properties and ligand lipophilicity efficiency in addressing drug safety risks. Ann Rep Med Chem 45:381-391
-
(2010)
Ann Rep Med Chem
, vol.45
, pp. 381-391
-
-
Edwards, M.P.1
Price, D.A.2
-
7
-
-
53349164135
-
Multi-target QSPR assemble of a complex network for the distribution of chemicals to biphasic systems and biological tissues
-
González-Díaz H, Cabrera-Pérez MiguelA, MA Agüero-ChapínG, Cruz-Monteagudo M, Castañeda-Cancio N, Río MAD, Uriarte E (2008) Multi-target QSPR assemble of a complex network for the distribution of chemicals to biphasic systems and biological tissues. Chem Intel Lab Sys 94:160-165
-
(2008)
Chem Intel Lab Sys
, vol.94
, pp. 160-165
-
-
González-Díaz, H.1
Cabrera-Pérez Miguela, M.A.2
Agüero-Chapín, G.3
Cruz-Monteagudo, M.4
Castañeda-Cancio, N.5
Río, M.A.D.6
Uriarte, E.7
-
8
-
-
76049101784
-
Neural computational prediction of oral drug absorption based on CODES 2D descriptors
-
Guerra A, Campillo NE, Paez JA (2010) Neural computational prediction of oral drug absorption based on CODES 2D descriptors. Eur J Med Chem 45:930-940
-
(2010)
Eur J Med Chem
, vol.45
, pp. 930-940
-
-
Guerra, A.1
Campillo, N.E.2
Paez, J.A.3
-
9
-
-
0004063090
-
-
Prentice-Hall, New Jersey
-
Haykin S (1999) Neural networks. Prentice-Hall, New Jersey
-
(1999)
Neural Networks
-
-
Haykin, S.1
-
10
-
-
40149105117
-
QSAR study of heparanase inhibitors activity using artificial neural networks and Levenberge Marquardt algorithm
-
Jalali-Heravi M, Asadollahi-Baboli M, Shahbazikhah P (2008) QSAR study of heparanase inhibitors activity using artificial neural networks and Levenberge Marquardt algorithm. Eur J Med Chem 43:548-556
-
(2008)
Eur J Med Chem
, vol.43
, pp. 548-556
-
-
Jalali-Heravi, M.1
Asadollahi-Baboli, M.2
Shahbazikhah, P.3
-
11
-
-
74149089631
-
Kernel partial robust M-regression as a flexible robust nonlinear modeling technique
-
Jia R, Mao Zh, Chang Y, Sh Zhang (2010) Kernel partial robust M-regression as a flexible robust nonlinear modeling technique. Chem Intel Lab Sys 100:91-98
-
(2010)
Chem Intel Lab Sys
, vol.100
, pp. 91-98
-
-
Jia, R.1
Mao, Zh.2
Chang, Y.3
Zhang, S.4
-
13
-
-
32644483338
-
Utilization of artificial neural networks in the diagnosis of optic nerve diseases
-
Kara S, Güven A, oztürk oner A (2006) Utilization of artificial neural networks in the diagnosis of optic nerve diseases. Comput Biol Med 36:428-437
-
(2006)
Comput Biol Med
, vol.36
, pp. 428-437
-
-
Kara, S.1
Güven, A.2
Oztürkoner, A.3
-
14
-
-
24044461725
-
A novel multivariate regression approach based on kernel partial least squares with orthogonal signal correction
-
Kim K, Lee JM, Lee IB (2005) A novel multivariate regression approach based on kernel partial least squares with orthogonal signal correction. Chemom Intell Lab Syst 79:22-30
-
(2005)
Chemom Intell Lab Syst
, vol.79
, pp. 22-30
-
-
Kim, K.1
Lee, J.M.2
Lee, I.B.3
-
15
-
-
35748934487
-
The influence of drug-like concepts on decision-making in medicinal chemistry
-
Leeson PD, Springthorpe B (2007) The influence of drug-like concepts on decision-making in medicinal chemistry. Nat Rev Drug Discov 6(11):881-890
-
(2007)
Nat Rev Drug Discov
, vol.6
, Issue.11
, pp. 881-890
-
-
Leeson, P.D.1
Springthorpe, B.2
-
16
-
-
77956338707
-
A nonlinear model for calibration of blood glucose noninvasive measurement using near infrared spectroscopy
-
Li Q, Li L, Zhang G (2010) A nonlinear model for calibration of blood glucose noninvasive measurement using near infrared spectroscopy. Infrared Phys Technol 53:410-417
-
(2010)
Infrared Phys Technol
, vol.53
, pp. 410-417
-
-
Li, Q.1
Li, L.2
Zhang, G.3
-
17
-
-
33646010368
-
Quantitative structure-roperty relationships for pesticides in biopartitioning micellar chromatography
-
Ma W, Feng Luan F, Zhang H, Zhang X, Liu M, Hu Z, Fan B (2006) Quantitative structure-roperty relationships for pesticides in biopartitioning micellar chromatography. J Chromat A 1113: 140-147
-
(2006)
J Chromat A
, vol.1113
, pp. 140-147
-
-
Ma, W.1
Feng Luan, F.2
Zhang, H.3
Zhang, X.4
Liu, M.5
Hu, Z.6
Fan, B.7
-
20
-
-
77957018182
-
QSRR models to predict retention indices of cyclic compounds of essential oils
-
Noorizadeh H, Farmany A (2010) QSRR models to predict retention indices of cyclic compounds of essential oils. Chromatographia 72:563-569
-
(2010)
Chromatographia
, vol.72
, pp. 563-569
-
-
Noorizadeh, H.1
Farmany, A.2
-
22
-
-
14844288465
-
Benzodiazepine use, abuse, and dependence
-
O'Brien CP (2005) Benzodiazepine use, abuse, and dependence. J Clin Psychiatr 66:28-33
-
(2005)
J Clin Psychiatr
, vol.66
, pp. 28-33
-
-
O'Brien, C.P.1
-
23
-
-
0037309431
-
Concomitant drugs of misuse and drug using behaviours associated with fatal opiate-related poisonings in Sheffield, UK
-
Oliver P, Keen J (2003) Concomitant drugs of misuse and drug using behaviours associated with fatal opiate-related poisonings in Sheffield, UK. Addiction 98:191-197
-
(2003)
Addiction
, vol.98
, pp. 191-197
-
-
Oliver, P.1
Keen, J.2
-
24
-
-
0030911527
-
Molecular structure and gas chromatographic retention behavior of the components of Ylang-Ylang oil
-
Olivero J, Gracia T, Payares P, Vivas R, Diaz D, Daza E, Geerlings P (1997) Molecular structure and gas chromatographic retention behavior of the components of Ylang-Ylang oil. J Pharm Sci 86:625-630
-
(1997)
J Pharm Sci
, vol.86
, pp. 625-630
-
-
Olivero, J.1
Gracia, T.2
Payares, P.3
Vivas, R.4
Diaz, D.5
Daza, E.6
Geerlings, P.7
-
25
-
-
0001531890
-
The First Tetrathiafulvalene-r-olynitrofluorene diads: Low HOM and LUMO Gap, amphoteric redox behavior, and charge transfer properties
-
Perepichka DF, Bryce MR, McInnes EJL, Zhao JP (2001) The First Tetrathiafulvalene-r-olynitrofluorene diads: low HOM and LUMO Gap, amphoteric redox behavior, and charge transfer properties. Org Lett 3:1431-1434
-
(2001)
Org Lett
, vol.3
, pp. 1431-1434
-
-
Perepichka, D.F.1
Bryce, M.R.2
McInnes, E.J.L.3
Zhao, J.P.4
-
26
-
-
40649112852
-
Pulsed flow modulation comprehensive two-dimensional gas chromatography
-
Poliak M, Kochman M, Amirav A (2008) Pulsed flow modulation comprehensive two-dimensional gas chromatography. J Chromat A 1186:189-195
-
(2008)
J Chromat A
, vol.1186
, pp. 189-195
-
-
Poliak, M.1
Kochman, M.2
Amirav, A.3
-
27
-
-
50449092250
-
Exploring QSARs for antiviral activity of 4-alkylamino-6-(2-hydroxyethyl) -2-methylthiopyrimidines by support vector machine
-
Riahi S, Pourbasheer E, Dinarvand R, Ganjali MR, Norouzi P (2008) Exploring QSARs for antiviral activity of 4-alkylamino-6-(2-hydroxyethyl)-2- methylthiopyrimidines by support vector machine. Chem Biol Drug Des 72:205-216
-
(2008)
Chem Biol Drug des
, vol.72
, pp. 205-216
-
-
Riahi, S.1
Pourbasheer, E.2
Dinarvand, R.3
Ganjali, M.R.4
Norouzi, P.5
-
28
-
-
3042747119
-
Comprehensive two-dimensional gas chromatography with timeof-flight mass spectrometry (GC9GC-TOFMS) for drug screening and confirmation
-
Song Sh, Marriott Ph, Kotsos A, Drummer OH, Wynne P (2004) Comprehensive two-dimensional gas chromatography with timeof-flight mass spectrometry (GC9GC-TOFMS) for drug screening and confirmation. Forensic Sci Int 143:87-101
-
(2004)
Forensic Sci Int
, vol.143
, pp. 87-101
-
-
Song, Sh.1
Marriott, Ph.2
Kotsos, A.3
Drummer, O.H.4
Wynne, P.5
-
31
-
-
77953359775
-
Optimized use of a 50 lm ID secondary column in comprehensive two-dimensional gas chromatography-mass spectrometry
-
Tranchida PQ, Purcaro G, Fanali C, Dugo P, Dugo G, Mondello L (2010) Optimized use of a 50 lm ID secondary column in comprehensive two-dimensional gas chromatography-mass spectrometry. J Chromat A 1217:4160-4166
-
(2010)
J Chromat A
, vol.1217
, pp. 4160-4166
-
-
Tranchida, P.Q.1
Purcaro, G.2
Fanali, C.3
Dugo, P.4
Dugo, G.5
Mondello, L.6
-
32
-
-
72249114719
-
A theoretical approach to the nucleophilic behavior of benzofused thieno[3,2-b]furans using DFT and HF based reactivity descriptors
-
Vektariene A, Vektaris G, Svoboda J (2009) A theoretical approach to the nucleophilic behavior of benzofused thieno[3,2-b]furans using DFT and HF based reactivity descriptors. ARKIVOC 7:311-329
-
(2009)
ARKIVOC
, vol.7
, pp. 311-329
-
-
Vektariene, A.1
Vektaris, G.2
Svoboda, J.3
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