-
1
-
-
14644444210
-
MIA-QSAR: a simple 2D image-based approach for quantitative structure-activity relationship analysis
-
Freitas M.P., Brown S.D., Martins J.A. MIA-QSAR: a simple 2D image-based approach for quantitative structure-activity relationship analysis. J. Mol. Struct. 2005, 738:149-154.
-
(2005)
J. Mol. Struct.
, vol.738
, pp. 149-154
-
-
Freitas, M.P.1
Brown, S.D.2
Martins, J.A.3
-
2
-
-
33644896260
-
MIA-QSAR modelling of anti-HIV-1 activities of some 2-amino-6-arylsulfonylbenzonitriles and their thio and sulfinyl congeners
-
Freitas M.P. MIA-QSAR modelling of anti-HIV-1 activities of some 2-amino-6-arylsulfonylbenzonitriles and their thio and sulfinyl congeners. Org. Biomol. Chem. 2006, 4:1154-1159.
-
(2006)
Org. Biomol. Chem.
, vol.4
, pp. 1154-1159
-
-
Freitas, M.P.1
-
3
-
-
51749093335
-
A 2D image-based approach for modelling some glycogen synthase kinase 3 inhibitors
-
Freitas M. A 2D image-based approach for modelling some glycogen synthase kinase 3 inhibitors. Med. Chem. Res. 2007, 16:461-467.
-
(2007)
Med. Chem. Res.
, vol.16
, pp. 461-467
-
-
Freitas, M.1
-
4
-
-
47949089838
-
Bioactivities of a series of phosphodiesterase type 5 (PDE-5) inhibitors as modelled by MIA-QSAR
-
Antunes J.E., Freitas M.P., Rittner R. Bioactivities of a series of phosphodiesterase type 5 (PDE-5) inhibitors as modelled by MIA-QSAR. Eur. J. Med. Chem. 2008, 43:1632-1638.
-
(2008)
Eur. J. Med. Chem.
, vol.43
, pp. 1632-1638
-
-
Antunes, J.E.1
Freitas, M.P.2
Rittner, R.3
-
5
-
-
65649085620
-
Multimode methods applied on MIA descriptors in QSAR
-
Freitas M.P., da Cunha E.F.F., Ramalho T.C., Goodarzi M. Multimode methods applied on MIA descriptors in QSAR. Curr. Comput. Aided Drug Des. 2008, 4:273-282.
-
(2008)
Curr. Comput. Aided Drug Des.
, vol.4
, pp. 273-282
-
-
Freitas, M.P.1
da Cunha, E.F.F.2
Ramalho, T.C.3
Goodarzi, M.4
-
6
-
-
57349180661
-
Augmented three-mode MIA-QSAR modeling for a series of anti-HIV-1 compounds
-
Goodarzi M., Freitas M.P. Augmented three-mode MIA-QSAR modeling for a series of anti-HIV-1 compounds. QSAR Comb. Sci. 2008, 27:1092-1097.
-
(2008)
QSAR Comb. Sci.
, vol.27
, pp. 1092-1097
-
-
Goodarzi, M.1
Freitas, M.P.2
-
7
-
-
62649144735
-
Bi- and multilinear PLS coupled to MIA-QSAR in the prediction of antifungal activities of some benzothiazole derivatives
-
Bitencourt M., Freitas M.P. Bi- and multilinear PLS coupled to MIA-QSAR in the prediction of antifungal activities of some benzothiazole derivatives. Med. Chem. 2009, 5:79-86.
-
(2009)
Med. Chem.
, vol.5
, pp. 79-86
-
-
Bitencourt, M.1
Freitas, M.P.2
-
8
-
-
77949480630
-
MIA-QSAR modelling of activities of a series of AZT analogues: bi- and multilinear PLS regression
-
Goodarzi M., de Freitas M.P. MIA-QSAR modelling of activities of a series of AZT analogues: bi- and multilinear PLS regression. Mol. Simul. 2009, 36:267-272.
-
(2009)
Mol. Simul.
, vol.36
, pp. 267-272
-
-
Goodarzi, M.1
de Freitas, M.P.2
-
9
-
-
61349178836
-
On the use of PLS and N-PLS in MIA-QSAR: azole antifungals
-
Goodarzi M., Freitas M.P. On the use of PLS and N-PLS in MIA-QSAR: azole antifungals. Chemom. Intell. Lab. Syst. 2009, 96:59-62.
-
(2009)
Chemom. Intell. Lab. Syst.
, vol.96
, pp. 59-62
-
-
Goodarzi, M.1
Freitas, M.P.2
-
10
-
-
72449171062
-
Synthesis and rational design of anti-inflammatory compounds: N-phenyl-cyclohexenyl sulfonamide derivatives
-
Lloret G.R., Cunha Neto Á., Rittner R., Bitencourt M., Freitas M.P., Aquino N.S. Synthesis and rational design of anti-inflammatory compounds: N-phenyl-cyclohexenyl sulfonamide derivatives. J. Phys. Org. Chem. 2009, 22:1188-1192.
-
(2009)
J. Phys. Org. Chem.
, vol.22
, pp. 1188-1192
-
-
Lloret, G.R.1
Cunha Neto, Á.2
Rittner, R.3
Bitencourt, M.4
Freitas, M.P.5
Aquino, N.S.6
-
11
-
-
77649190356
-
MIA-QSAR coupled to principal component analysis-adaptive neuro-fuzzy inference systems (PCA-ANFIS) for the modeling of the anti-HIV reverse transcriptase activities of TIBO derivatives
-
Goodarzi M., Freitas M.P. MIA-QSAR coupled to principal component analysis-adaptive neuro-fuzzy inference systems (PCA-ANFIS) for the modeling of the anti-HIV reverse transcriptase activities of TIBO derivatives. Eur. J. Med. Chem. 2010, 45:1352-1358.
-
(2010)
Eur. J. Med. Chem.
, vol.45
, pp. 1352-1358
-
-
Goodarzi, M.1
Freitas, M.P.2
-
12
-
-
80755159513
-
MIA-QSAR coupled to different regression methods for the modeling of antimalarial activities of 2-aziridinyl and 2,3-bis-(aziridinyl)-1,4-naphtoquinonyl sulfate and acylate derivatives
-
Goodarzi M., Freitas M.P. MIA-QSAR coupled to different regression methods for the modeling of antimalarial activities of 2-aziridinyl and 2,3-bis-(aziridinyl)-1,4-naphtoquinonyl sulfate and acylate derivatives. Med. Chem. 2011, 7:645-654.
-
(2011)
Med. Chem.
, vol.7
, pp. 645-654
-
-
Goodarzi, M.1
Freitas, M.P.2
-
13
-
-
80052273207
-
MIA-QSPR and effect of variable selection on the modeling of kinetic parameters related to activities of modified peptides against dengue type 2
-
Silla J.M., Nunes C.A., Cormanich R.A., Guerreiro M.C., Ramalho T.C., Freitas M.P. MIA-QSPR and effect of variable selection on the modeling of kinetic parameters related to activities of modified peptides against dengue type 2. Chemom. Intell. Lab. Syst. 2011, 108:146-149.
-
(2011)
Chemom. Intell. Lab. Syst.
, vol.108
, pp. 146-149
-
-
Silla, J.M.1
Nunes, C.A.2
Cormanich, R.A.3
Guerreiro, M.C.4
Ramalho, T.C.5
Freitas, M.P.6
-
14
-
-
84866257937
-
The MIA-QSAR method for the prediction of bioactivities of possible acetylcholinesterase inhibitors
-
Bitencourt M., Freitas M.P., Rittner R. The MIA-QSAR method for the prediction of bioactivities of possible acetylcholinesterase inhibitors. Arch. Pharm. 2012, 345:723-728.
-
(2012)
Arch. Pharm.
, vol.345
, pp. 723-728
-
-
Bitencourt, M.1
Freitas, M.P.2
Rittner, R.3
-
15
-
-
47549101416
-
MIA-QSAR evaluation of a series of sulfonylurea herbicides
-
Bitencourt M., Freitas M.P. MIA-QSAR evaluation of a series of sulfonylurea herbicides. Pest Manag. Sci. 2008, 64:800-807.
-
(2008)
Pest Manag. Sci.
, vol.64
, pp. 800-807
-
-
Bitencourt, M.1
Freitas, M.P.2
-
16
-
-
69249209721
-
Prediction of 13C chemical shifts in methoxyflavonol derivatives using MIA-QSPR
-
Goodarzi M., Freitas M.P., Ramalho T.C. Prediction of 13C chemical shifts in methoxyflavonol derivatives using MIA-QSPR. Spectrochim. Acta A 2009, 74:563-568.
-
(2009)
Spectrochim. Acta A
, vol.74
, pp. 563-568
-
-
Goodarzi, M.1
Freitas, M.P.2
Ramalho, T.C.3
-
17
-
-
78249279374
-
PLS and N-PLS-based MIA-QSTR modelling of the acute toxicities of phenylsulphonyl carboxylates to Vibrio fischeri
-
Goodarzi M., Freitas M.P. PLS and N-PLS-based MIA-QSTR modelling of the acute toxicities of phenylsulphonyl carboxylates to Vibrio fischeri. Mol. Simul. 2010, 36:953-959.
-
(2010)
Mol. Simul.
, vol.36
, pp. 953-959
-
-
Goodarzi, M.1
Freitas, M.P.2
-
18
-
-
84884224863
-
Augmented multivariate image analysis applied to quantitative structure-activity relationship modeling of the phytotoxicities of benzoxazinone herbicides and related compounds on problematic weeds
-
Freitas M.R., Matias S.V.B.G., Macedo R.L.G., Freitas M.P., Venturin N. Augmented multivariate image analysis applied to quantitative structure-activity relationship modeling of the phytotoxicities of benzoxazinone herbicides and related compounds on problematic weeds. J. Agric. Food Chem. 2013, 61:8499-8503.
-
(2013)
J. Agric. Food Chem.
, vol.61
, pp. 8499-8503
-
-
Freitas, M.R.1
Matias, S.V.B.G.2
Macedo, R.L.G.3
Freitas, M.P.4
Venturin, N.5
-
19
-
-
84872600326
-
Aug-MIA-QSPR on the modeling of sweetness values of disaccharide derivatives
-
Nunes C.A., Freitas M.P. aug-MIA-QSPR on the modeling of sweetness values of disaccharide derivatives. LWT Food Sci. Technol. 2013, 51:405-408.
-
(2013)
LWT Food Sci. Technol.
, vol.51
, pp. 405-408
-
-
Nunes, C.A.1
Freitas, M.P.2
-
20
-
-
84920836606
-
Coloured chemical image-based models for the prediction of soil sorption of herbicides
-
Freitas M.R., Barigye S.J., Freitas M.P. Coloured chemical image-based models for the prediction of soil sorption of herbicides. RSC Adv. 2015, 5:7547-7553.
-
(2015)
RSC Adv.
, vol.5
, pp. 7547-7553
-
-
Freitas, M.R.1
Barigye, S.J.2
Freitas, M.P.3
-
21
-
-
84897067452
-
Aug-MIA-QSPR modelling of the toxicities of anilines and phenols to Vibrio fischeri and Pseudokirchneriella subcapitata
-
Guimarães M.C., da Mota E.G., Silva D.G., Freitas M.P. aug-MIA-QSPR modelling of the toxicities of anilines and phenols to Vibrio fischeri and Pseudokirchneriella subcapitata. Chemom. Intell. Lab. Syst. 2014, 134:53-57.
-
(2014)
Chemom. Intell. Lab. Syst.
, vol.134
, pp. 53-57
-
-
Guimarães, M.C.1
da Mota, E.G.2
Silva, D.G.3
Freitas, M.P.4
-
22
-
-
84910148800
-
Aug-MIA-QSPR modeling of the soil sorption of carboxylic acid herbicides
-
Freitas M., Freitas M., Macedo R.G. Aug-MIA-QSPR modeling of the soil sorption of carboxylic acid herbicides. Bull. Environ. Contam. Toxicol. 2014, 93:489-492.
-
(2014)
Bull. Environ. Contam. Toxicol.
, vol.93
, pp. 489-492
-
-
Freitas, M.1
Freitas, M.2
Macedo, R.G.3
-
23
-
-
84873053040
-
Introducing new dimensions in MIA-QSAR: a case for chemokine receptor inhibitors
-
Nunes C.A., Freitas M.P. Introducing new dimensions in MIA-QSAR: a case for chemokine receptor inhibitors. Eur. J. Med. Chem. 2013, 62:297-300.
-
(2013)
Eur. J. Med. Chem.
, vol.62
, pp. 297-300
-
-
Nunes, C.A.1
Freitas, M.P.2
-
24
-
-
84880590713
-
Aug-MIA-QSAR modeling of antimicrobial activities and design of multi-target anilide derivatives
-
Nunes C.A., Freitas M.P. aug-MIA-QSAR modeling of antimicrobial activities and design of multi-target anilide derivatives. J. Microbiol. Methods 2013, 94:217-220.
-
(2013)
J. Microbiol. Methods
, vol.94
, pp. 217-220
-
-
Nunes, C.A.1
Freitas, M.P.2
-
29
-
-
0026539573
-
Some special topics in multivariate image analysis
-
Geladi P. Some special topics in multivariate image analysis. Chemom. Intell. Lab. Syst. 1992, 14:375-390.
-
(1992)
Chemom. Intell. Lab. Syst.
, vol.14
, pp. 375-390
-
-
Geladi, P.1
-
30
-
-
79953326167
-
2D chemical drawings correlate to bioactivities: MIA-QSAR modelling of antimalarial activities of 2, 5-diaminobenzophenone derivatives
-
Cormanich R.A., Freitas M.P., Rittner R. 2D chemical drawings correlate to bioactivities: MIA-QSAR modelling of antimalarial activities of 2, 5-diaminobenzophenone derivatives. J. Braz. Chem. Soc. 2011, 22:637-642.
-
(2011)
J. Braz. Chem. Soc.
, vol.22
, pp. 637-642
-
-
Cormanich, R.A.1
Freitas, M.P.2
Rittner, R.3
-
31
-
-
58849083776
-
Improvement of multivariate image analysis applied to quantitative structure-activity relationship (QSAR) analysis by using wavelet-principal component analysis ranking variable selection and least-squares support vector machine regression: QSAR study of checkpoint kinase WEE1 inhibitors
-
Cormanich R.A., Goodarzi M., Freitas M.P. Improvement of multivariate image analysis applied to quantitative structure-activity relationship (QSAR) analysis by using wavelet-principal component analysis ranking variable selection and least-squares support vector machine regression: QSAR study of checkpoint kinase WEE1 inhibitors. Chem. Biol. Drug Des. 2009, 73:244-252.
-
(2009)
Chem. Biol. Drug Des.
, vol.73
, pp. 244-252
-
-
Cormanich, R.A.1
Goodarzi, M.2
Freitas, M.P.3
-
32
-
-
84865260311
-
Desenhos de Estruturas Químicas Correlacionam-se com Propriedades Biológicas: MIA-QSAR
-
Cormanich R.A., Nunes C.A., Freitas M.P. Desenhos de Estruturas Químicas Correlacionam-se com Propriedades Biológicas: MIA-QSAR. Quim. Nova 2012, 35:1157-1163.
-
(2012)
Quim. Nova
, vol.35
, pp. 1157-1163
-
-
Cormanich, R.A.1
Nunes, C.A.2
Freitas, M.P.3
-
33
-
-
2942626614
-
-
(Natick, Massachusetts)
-
MATLAB The MathWorks Inc. 2010, (Natick, Massachusetts).
-
(2010)
The MathWorks Inc.
-
-
-
35
-
-
84874761183
-
Enalos KNIME nodes: exploring corrosion inhibition of steel in acidic medium
-
Melagraki G., Afantitis A. Enalos KNIME nodes: exploring corrosion inhibition of steel in acidic medium. Chemom. Intell. Lab. Syst. 2013, 123:9-14.
-
(2013)
Chemom. Intell. Lab. Syst.
, vol.123
, pp. 9-14
-
-
Melagraki, G.1
Afantitis, A.2
-
36
-
-
67249129284
-
On two novel parameters for validation of predictive QSAR models
-
Pratim Roy P., Paul S., Mitra I., Roy K. On two novel parameters for validation of predictive QSAR models. Molecules 2009, 14:1660-1701.
-
(2009)
Molecules
, vol.14
, pp. 1660-1701
-
-
Pratim Roy, P.1
Paul, S.2
Mitra, I.3
Roy, K.4
-
37
-
-
33750321978
-
A novel automated lazy learning QSAR (ALL-QSAR) approach: method development, applications, and virtual screening of chemical databases using validated ALL-QSAR models
-
Zhang S., Golbraikh A., Oloff S., Kohn H., Tropsha A. A novel automated lazy learning QSAR (ALL-QSAR) approach: method development, applications, and virtual screening of chemical databases using validated ALL-QSAR models. J. Chem. Inf. Model. 2006, 46:1984-1995.
-
(2006)
J. Chem. Inf. Model.
, vol.46
, pp. 1984-1995
-
-
Zhang, S.1
Golbraikh, A.2
Oloff, S.3
Kohn, H.4
Tropsha, A.5
-
38
-
-
84908122780
-
Enalos InSilicoNano platform: an online decision support tool for the design and virtual screening of nanoparticles
-
Melagraki G., Afantitis A. Enalos InSilicoNano platform: an online decision support tool for the design and virtual screening of nanoparticles. RSC Adv. 2014, 4:50713-50725.
-
(2014)
RSC Adv.
, vol.4
, pp. 50713-50725
-
-
Melagraki, G.1
Afantitis, A.2
-
39
-
-
84874071440
-
Chemoface: a novel free user-friendly interface for chemometrics
-
Nunes C.A., Freitas M.P., Pinheiro A.C.M., Bastos S.C. Chemoface: a novel free user-friendly interface for chemometrics. J. Braz. Chem. Soc. 2012, 23:2003-2010.
-
(2012)
J. Braz. Chem. Soc.
, vol.23
, pp. 2003-2010
-
-
Nunes, C.A.1
Freitas, M.P.2
Pinheiro, A.C.M.3
Bastos, S.C.4
-
40
-
-
33748750232
-
3D-QSAR analysis of antimalarial farnesyltransferase inhibitors based on a 2, 5-diaminobenzophenone scaffold
-
Xie A., Sivaprakasam P., Doerksen R.J. 3D-QSAR analysis of antimalarial farnesyltransferase inhibitors based on a 2, 5-diaminobenzophenone scaffold. Bioorg. Med. Chem. 2006, 14:7311-7323.
-
(2006)
Bioorg. Med. Chem.
, vol.14
, pp. 7311-7323
-
-
Xie, A.1
Sivaprakasam, P.2
Doerksen, R.J.3
-
41
-
-
42949138050
-
3D-QSAR studies of Checkpoint Kinase WEE1 inhibitors based on molecular docking, CoMFA and CoMSIA
-
Yi P., Fang X., Qiu M. 3D-QSAR studies of Checkpoint Kinase WEE1 inhibitors based on molecular docking, CoMFA and CoMSIA. Eur. J. Med. Chem. 2008, 43:925-938.
-
(2008)
Eur. J. Med. Chem.
, vol.43
, pp. 925-938
-
-
Yi, P.1
Fang, X.2
Qiu, M.3
|