-
1
-
-
78651248964
-
Systems biological approach on neurological disorders: a novel molecular connectivity to aging and psychiatric diseases
-
Ahmed SS, Ahameethunisa AR, Santosh W, Chakravarthy S, Kumar S, (2011) Systems biological approach on neurological disorders: a novel molecular connectivity to aging and psychiatric diseases. BMC Syst Biol 5: 6.
-
(2011)
BMC Syst Biol
, vol.5
, pp. 6
-
-
Ahmed, S.S.1
Ahameethunisa, A.R.2
Santosh, W.3
Chakravarthy, S.4
Kumar, S.5
-
2
-
-
68249111344
-
Building disease-specific drug-protein connectivity maps from molecular interaction networks and PubMed abstracts
-
Li J, Zhu X, Chen JY, (2009) Building disease-specific drug-protein connectivity maps from molecular interaction networks and PubMed abstracts. PLoS Comput Biol 5: e1000450.
-
(2009)
PLoS Comput Biol
, vol.5
-
-
Li, J.1
Zhu, X.2
Chen, J.Y.3
-
3
-
-
68449088145
-
Human disease-drug network based on genomic expression Profiles
-
Hu G, Agarwal P, (2009) Human disease-drug network based on genomic expression Profiles. PLoS ONE 4: e6536.
-
(2009)
PLoS ONE
, vol.4
-
-
Hu, G.1
Agarwal, P.2
-
4
-
-
0034880597
-
Pharmacokinetics and Its Role in Small Molecule Drug Discovery Research
-
Graham RJ, Robert ZH, David TL, (2001) Pharmacokinetics and Its Role in Small Molecule Drug Discovery Research. Med Res Rev 21: 382-396.
-
(2001)
Med Res Rev
, vol.21
, pp. 382-396
-
-
Graham, R.J.1
Robert, Z.H.2
David, T.L.3
-
5
-
-
9644278194
-
Improving the decision-making process in the structural modification of drug candidates: enhancing metabolic stabilit Drug Discov Today
-
Nassar AE, Kamel AM, Clarimont C, (2004) Improving the decision-making process in the structural modification of drug candidates: enhancing metabolic stabilit Drug Discov Today 9: 1020-1028.
-
(2004)
, vol.9
, pp. 1020-1028
-
-
Nassar, A.E.1
Kamel, A.M.2
Clarimont, C.3
-
6
-
-
0030886937
-
Managing the drug discovery/development interface
-
Kennedy T, (1997) Managing the drug discovery/development interface. Drug Discov Today 2: 436-444.
-
(1997)
Drug Discov Today
, vol.2
, pp. 436-444
-
-
Kennedy, T.1
-
7
-
-
0033952168
-
Compound optimization in early- and late-phase drug discovery: acceptable pharmacokinetic properties utilizing combined physicochemical, in vitro and in vivo screens
-
Caldwell GW, (2000) Compound optimization in early- and late-phase drug discovery: acceptable pharmacokinetic properties utilizing combined physicochemical, in vitro and in vivo screens. Curr Opin Drug Discov Devel 3: 30-41.
-
(2000)
Curr Opin Drug Discov Devel
, vol.3
, pp. 30-41
-
-
Caldwell, G.W.1
-
8
-
-
34247245174
-
ADME evaluation in drug discovery. 6. Can oral bioavailability in humans be effectively predicted by simple molecular property-based rules?
-
Hou T, Wang J, Zhang W, Xu X, (2007) ADME evaluation in drug discovery. 6. Can oral bioavailability in humans be effectively predicted by simple molecular property-based rules? J Chem Inf Model 47: 460-463.
-
(2007)
J Chem Inf Model
, vol.47
, pp. 460-463
-
-
Hou, T.1
Wang, J.2
Zhang, W.3
Xu, X.4
-
9
-
-
84885791711
-
In vivo Methods for Oral Bioavailability Studies
-
In: M Hu, X Li, editors, editors
-
Ruiz-Garcia A, Bermejo M, (2011) In vivo Methods for Oral Bioavailability Studies. In: M Hu, X Li, editors. pp. 493-502 editors. Oral Bioavailability: Basic Principles, Advanced Concepts, and Applications: John Wiley & Sons, Inc., Hoboken.
-
(2011)
, pp. 493-502
-
-
Ruiz-Garcia, A.1
Bermejo, M.2
-
10
-
-
33846855555
-
ADME evaluation in drug discovery. 7. Prediction of oral absorption by correlation and classification
-
Hou T, Wang J, Zhang W, Xu X, (2007) ADME evaluation in drug discovery. 7. Prediction of oral absorption by correlation and classification. J Chem Inf Model 47: 208-218.
-
(2007)
J Chem Inf Model
, vol.47
, pp. 208-218
-
-
Hou, T.1
Wang, J.2
Zhang, W.3
Xu, X.4
-
11
-
-
0033840471
-
Predicting human oral bioavailability of a compound: development of a novel quantitative structure-bioavailability relationship
-
Andrews CW, Bennett L, Yu LX, (2000) Predicting human oral bioavailability of a compound: development of a novel quantitative structure-bioavailability relationship. Pharm Res 17: 639-644.
-
(2000)
Pharm Res
, vol.17
, pp. 639-644
-
-
Andrews, C.W.1
Bennett, L.2
Yu, L.X.3
-
12
-
-
0034729673
-
QSAR model for drug human oral bioavailability
-
Yoshida F, Topliss JG, (2000) QSAR model for drug human oral bioavailability. J Med Chem 43: 2575-2585.
-
(2000)
J Med Chem
, vol.43
, pp. 2575-2585
-
-
Yoshida, F.1
Topliss, J.G.2
-
13
-
-
0037648936
-
Prediction of drug bioavailability based on molecular structure
-
Agatonovic-Kustrin S, (2003) Prediction of drug bioavailability based on molecular structure. Anal. Chim.Acta 485: 89-102.
-
(2003)
Anal. Chim.Acta
, vol.485
, pp. 89-102
-
-
Agatonovic-Kustrin, S.1
-
14
-
-
0037030653
-
Molecular properties that influence the oral bioavailability of drug candidates
-
Veber DF, Johnson SR, Cheng HY, Smith BR, Ward KW, et al. (2002) Molecular properties that influence the oral bioavailability of drug candidates. J Med Chem 45: 2615-2623.
-
(2002)
J Med Chem
, vol.45
, pp. 2615-2623
-
-
Veber, D.F.1
Johnson, S.R.2
Cheng, H.Y.3
Smith, B.R.4
Ward, K.W.5
-
15
-
-
33845748281
-
Genetic algorithm-optimized QSPR models for bioavailability, protein binding, and urinary excretion
-
Wang JM, Krudy G, Xie XQ, Wu CD, Holland G, (2006) Genetic algorithm-optimized QSPR models for bioavailability, protein binding, and urinary excretion. J. Chem. Inf. Model 46: 2674-2683.
-
(2006)
J. Chem. Inf. Model
, vol.46
, pp. 2674-2683
-
-
Wang, J.M.1
Krudy, G.2
Xie, X.Q.3
Wu, C.D.4
Holland, G.5
-
16
-
-
44749088791
-
Prediction models of human plasma protein binding rate and oral bioavailability derived by using GA-CG-SVM method
-
Ma CY, Yang SY, Zhang H, Xiang ML, Huang Q, Wei YQ, (2008) Prediction models of human plasma protein binding rate and oral bioavailability derived by using GA-CG-SVM method. J.Pharmaceut. Biomed 47: 677-682.
-
(2008)
J.Pharmaceut. Biomed
, vol.47
, pp. 677-682
-
-
Ma, C.Y.1
Yang, S.Y.2
Zhang, H.3
Xiang, M.L.4
Huang, Q.5
Wei, Y.Q.6
-
17
-
-
79958266864
-
ADME evaluation in drug discovery. 9. Prediction of oral bioavailability in humans based on molecular properties and structural fingerprints
-
Tian S, Li Y, Wang J, Zhang J, Hou T, (2011) ADME evaluation in drug discovery. 9. Prediction of oral bioavailability in humans based on molecular properties and structural fingerprints. Mol Pharm 8: 841-851.
-
(2011)
Mol Pharm
, vol.8
, pp. 841-851
-
-
Tian, S.1
Li, Y.2
Wang, J.3
Zhang, J.4
Hou, T.5
-
18
-
-
79955718555
-
Recent developments of in silico predictions of oral bioavailability
-
Zhu J, Wang J, Yu H, Li Y, Hou T, (2011) Recent developments of in silico predictions of oral bioavailability. Comb Chem High Throughput Screen 14: 362-374.
-
(2011)
Comb Chem High Throughput Screen
, vol.14
, pp. 362-374
-
-
Zhu, J.1
Wang, J.2
Yu, H.3
Li, Y.4
Hou, T.5
-
19
-
-
84864006112
-
Drug Bioavailability: Estimation of solubility, permeability, absorption and bioavailability
-
Han V, Bernard T, (1998) Drug Bioavailability: Estimation of solubility, permeability, absorption and bioavailability. Wiley-vch, weinheim.
-
(1998)
Wiley-Vch, Weinheim
-
-
Han, V.1
Bernard, T.2
-
20
-
-
35348864556
-
Hologram QSAR model for the prediction of human oral bioavailability
-
Moda TL, Montanari CA, Andricopulo AD, (2007) Hologram QSAR model for the prediction of human oral bioavailability. Bioorg Med Chem 15: 7738-7745.
-
(2007)
Bioorg Med Chem
, vol.15
, pp. 7738-7745
-
-
Moda, T.L.1
Montanari, C.A.2
Andricopulo, A.D.3
-
21
-
-
77249122159
-
Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination
-
Varma MV, Obach RS, Rotter C, Miller HR, Chang G, et al. (2010) Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination. J Med Chem 53: 1098-1108.
-
(2010)
J Med Chem
, vol.53
, pp. 1098-1108
-
-
Varma, M.V.1
Obach, R.S.2
Rotter, C.3
Miller, H.R.4
Chang, G.5
-
22
-
-
33746461831
-
Computational approaches for modeling human intestinal absorption and permeability
-
Subramanian G, Kitchen DB, (2006) Computational approaches for modeling human intestinal absorption and permeability. J Mol Model 12: 577-589.
-
(2006)
J Mol Model
, vol.12
, pp. 577-589
-
-
Subramanian, G.1
Kitchen, D.B.2
-
23
-
-
54349105915
-
Prediction of human intestinal absorption by GA feature selection and support vector machine regression
-
Yan A, Wang Z, Cai Z, (2008) Prediction of human intestinal absorption by GA feature selection and support vector machine regression. Int J Mol Sci 9: 1961-1976.
-
(2008)
Int J Mol Sci
, vol.9
, pp. 1961-1976
-
-
Yan, A.1
Wang, Z.2
Cai, Z.3
-
24
-
-
37249042636
-
ADME evaluation in drug discovery. 8. The prediction of human intestinal absorption by a support vector machine
-
Hou T, Wang J, Li Y, (2007) ADME evaluation in drug discovery. 8. The prediction of human intestinal absorption by a support vector machine. J Chem Inf Model 47: 2408-2415.
-
(2007)
J Chem Inf Model
, vol.47
, pp. 2408-2415
-
-
Hou, T.1
Wang, J.2
Li, Y.3
-
25
-
-
79958792928
-
In Silico prediction of caco-2 cell permeability by a classification QSAR approach
-
Hai PT, Isabel G, Marival B, Victor MS, Inmaculada C, et al. (2011) In Silico prediction of caco-2 cell permeability by a classification QSAR approach. Mol Inform 30: 376-385.
-
(2011)
Mol Inform
, vol.30
, pp. 376-385
-
-
Hai, P.T.1
Isabel, G.2
Marival, B.3
Victor, M.S.4
Inmaculada, C.5
-
26
-
-
77954761477
-
Prediction of the in vitro permeability determined in Caco-2 cells by using artificial neural networks
-
Paixão P, Gouveia LF, Morais JA, (2010) Prediction of the in vitro permeability determined in Caco-2 cells by using artificial neural networks. Eur J Pharm Sci 41: 107-117.
-
(2010)
Eur J Pharm Sci
, vol.41
, pp. 107-117
-
-
Paixão, P.1
Gouveia, L.F.2
Morais, J.A.3
-
27
-
-
5444258177
-
ADME evaluation in drug discovery. 5. Correlation of Caco-2 permeation with simple molecular properties
-
Hou TJ, Zhang W, Xia K, Qiao XB, Xu XJ, (2004) ADME evaluation in drug discovery. 5. Correlation of Caco-2 permeation with simple molecular properties. J Chem Inf Comput Sci 44: 1585-1600.
-
(2004)
J Chem Inf Comput Sci
, vol.44
, pp. 1585-1600
-
-
Hou, T.J.1
Zhang, W.2
Xia, K.3
Qiao, X.B.4
Xu, X.J.5
-
28
-
-
0037177509
-
Prediction of Caco-2 cell permeability using a combination of MO-calculation and neural network
-
Fujiwara S, Yamashita F, Hashida M, (2002) Prediction of Caco-2 cell permeability using a combination of MO-calculation and neural network. Int J Pharm. 237: 95-105.
-
(2002)
Int J Pharm
, vol.237
, pp. 95-105
-
-
Fujiwara, S.1
Yamashita, F.2
Hashida, M.3
-
29
-
-
0034800976
-
A quantitative structure-activity relationship study on some HIV-1 protease inhibitors using molecular connectivity index
-
Gayathri P, Pande V, Sivakumar R, Gupta SP, (2001) A quantitative structure-activity relationship study on some HIV-1 protease inhibitors using molecular connectivity index. Bioorg Med Chem 9: 3059-3063.
-
(2001)
Bioorg Med Chem
, vol.9
, pp. 3059-3063
-
-
Gayathri, P.1
Pande, V.2
Sivakumar, R.3
Gupta, S.P.4
-
30
-
-
33244488303
-
Topological descriptors in modeling the antimalarial activity of 4-(3',5'-disubstituted anilino) quinolines
-
Gupta MK, Prabhakar YS, (2006) Topological descriptors in modeling the antimalarial activity of 4-(3',5'-disubstituted anilino) quinolines. J Chem Inf Model 46: 93-102.
-
(2006)
J Chem Inf Model
, vol.46
, pp. 93-102
-
-
Gupta, M.K.1
Prabhakar, Y.S.2
-
31
-
-
79551605073
-
QSAR and pharmacophore modeling of 4-arylthieno [3, 2-d] pyrimidine derivatives against adenosine receptor of Parkinson's disease
-
Ahmed SS, Ahameethunisa A, Santosh W, (2010) QSAR and pharmacophore modeling of 4-arylthieno [3, 2-d] pyrimidine derivatives against adenosine receptor of Parkinson's disease. J Theor Comput Chem 9: 975-991.
-
(2010)
J Theor Comput Chem
, vol.9
, pp. 975-991
-
-
Ahmed, S.S.1
Ahameethunisa, A.2
Santosh, W.3
-
32
-
-
84863021520
-
High-dimensional descriptor selection and computational qsar modeling for antitumor activity of arc-111 analogues based on support vector regression (SVR)
-
Zhou W, Dai Z, Chen Y, Wang H, Yuan Z, (2012) High-dimensional descriptor selection and computational qsar modeling for antitumor activity of arc-111 analogues based on support vector regression (SVR). Int J Mol Sci 13: 1161-1172.
-
(2012)
Int J Mol Sci
, vol.13
, pp. 1161-1172
-
-
Zhou, W.1
Dai, Z.2
Chen, Y.3
Wang, H.4
Yuan, Z.5
-
33
-
-
33748745863
-
Differential prioritization between relevance and redundancy in correlation-based feature selection techniques for multiclass gene expression data
-
Ooi CH, Chetty M, Teng SW, (2006) Differential prioritization between relevance and redundancy in correlation-based feature selection techniques for multiclass gene expression data. BMC Bioinformatics 7: 320.
-
(2006)
BMC Bioinformatics
, vol.7
, pp. 320
-
-
Ooi, C.H.1
Chetty, M.2
Teng, S.W.3
-
34
-
-
77951979146
-
Hybrid-genetic algorithm based descriptor optimization and QSAR models for predicting the biological activity of Tipranavir analogs for HIV protease inhibition
-
Reddy AS, Kumar S, Garg R, (2010) Hybrid-genetic algorithm based descriptor optimization and QSAR models for predicting the biological activity of Tipranavir analogs for HIV protease inhibition. J Mol Graph Model 28: 852-862.
-
(2010)
J Mol Graph Model
, vol.28
, pp. 852-862
-
-
Reddy, A.S.1
Kumar, S.2
Garg, R.3
-
35
-
-
27344459398
-
Virtual computational chemistry laboratory-design and description
-
Tetko IV, Gasteiger J, Todeschini R, Mauri A, Livingstone D, et al. (2005) Virtual computational chemistry laboratory-design and description. J Comput Aided Mol Des 19: 453-463.
-
(2005)
J Comput Aided Mol Des
, vol.19
, pp. 453-463
-
-
Tetko, I.V.1
Gasteiger, J.2
Todeschini, R.3
Mauri, A.4
Livingstone, D.5
|