메뉴 건너뛰기




Volumn 18, Issue 3, 2015, Pages 315-322

Prediction of drug induced liver injury using molecular and biological descriptors

Author keywords

Biological descriptor; Drug induced liver injury; Human hepatocyte cultures; Machine learning methods; Molecular descriptors

Indexed keywords

AMIODARONE; CHLORPROMAZINE; CYCLOSPORIN A; DICLOFENAC; PARACETAMOL; ROSIGLITAZONE; TICLOPIDINE; TROGLITAZONE; VALPROIC ACID; WARFARIN; DRUG;

EID: 84931265612     PISSN: 13862073     EISSN: 18755402     Source Type: Journal    
DOI: 10.2174/1386207318666150305144650     Document Type: Article
Times cited : (24)

References (34)
  • 1
    • 1642282158 scopus 로고    scopus 로고
    • First dose of potential new medicines to humans: How animals help
    • Greaves, P.; Williams, A.; Eve, M. First dose of potential new medicines to humans: how animals help. Nat. Rev. Drug Discov., 2004, 3 (3), 226-236.
    • (2004) Nat. Rev. Drug Discov. , vol.3 , Issue.3 , pp. 226-236
    • Greaves, P.1    Williams, A.2    Eve, M.3
  • 4
    • 0042355457 scopus 로고    scopus 로고
    • In silico prediction of drug toxicity
    • Dearden, J. C. In silico prediction of drug toxicity. J. Comput. Aided Mol. Des., 2003, 17 (2-4), 119-127.
    • (2003) J. Comput. Aided Mol. Des. , vol.17 , Issue.2-4 , pp. 119-127
    • Dearden, J.C.1
  • 5
    • 1942475425 scopus 로고    scopus 로고
    • In silico models for the prediction of dosedependent human hepatotoxicity
    • (a) Cheng, A.; Dixon, S. In silico models for the prediction of dosedependent human hepatotoxicity. J. Comput. Aided Mol. Des., 2003, 17 (12), 811-823;
    • (2003) J. Comput. Aided Mol. Des. , vol.17 , Issue.12 , pp. 811-823
    • Cheng, A.1    Dixon, S.2
  • 6
    • 75149175715 scopus 로고    scopus 로고
    • Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species
    • (b) Fourches, D.; Barnes, J. C.; Day, N. C.; Bradley, P.; Reed, J. Z.; Tropsha, A. Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species. Chem. Res. Toxicol., 2010, 23 (1), 171-183.
    • (2010) Chem. Res. Toxicol. , vol.23 , Issue.1 , pp. 171-183
    • Fourches, D.1    Barnes, J.C.2    Day, N.C.3    Bradley, P.4    Reed, J.Z.5    Tropsha, A.6
  • 7
    • 2942585269 scopus 로고    scopus 로고
    • Modelling in vitro hepatotoxicity using molecular interaction fields and SIMCA
    • Clark, R. D.; Wolohan, P. R. N.; Hodgkin, E. E.; Kelly, J. H.; Sussman, N. L. Modelling in vitro hepatotoxicity using molecular interaction fields and SIMCA. J. Mol. Graph. Model., 2004, 22 (6), 487-497.
    • (2004) J. Mol. Graph. Model. , vol.22 , Issue.6 , pp. 487-497
    • Clark, R.D.1    Wolohan, P.R.N.2    Hodgkin, E.E.3    Kelly, J.H.4    Sussman, N.L.5
  • 9
    • 84855288564 scopus 로고    scopus 로고
    • Translating clinical findings into knowledge in drug safety evaluation-drug induced liver injury prediction system (DILIps)
    • (a) Liu, Z.; Shi, Q.; Ding, D.; Kelly, R.; Fang, H.; Tong, W. Translating Clinical Findings into Knowledge in Drug Safety Evaluation-Drug Induced Liver Injury Prediction System (DILIps). PLoS Comput. Biol., 2011, 7 (12), e1002310;
    • (2011) PLoS Comput. Biol. , vol.7 , Issue.12 , pp. e1002310
    • Liu, Z.1    Shi, Q.2    Ding, D.3    Kelly, R.4    Fang, H.5    Tong, W.6
  • 11
    • 0035846970 scopus 로고    scopus 로고
    • TOXNET: An evolving web resource for toxicology and environmental health information
    • Wexler, P., TOXNET: An evolving web resource for toxicology and environmental health information. Toxicology, 2001, 157 (1-2), 3-10.
    • (2001) Toxicology , vol.157 , Issue.1-2 , pp. 3-10
    • Wexler, P.1
  • 12
    • 78649633211 scopus 로고    scopus 로고
    • PubChem as a public resource for drug discovery
    • Li, Q.; Cheng, T.; Wang, Y.; Bryant, S. PubChem as a public resource for drug discovery. Drug Discov. Today, 2010, 15 (23-24), 1052-1057.
    • (2010) Drug Discov. Today , vol.15 , Issue.23-24 , pp. 1052-1057
    • Li, Q.1    Cheng, T.2    Wang, Y.3    Bryant, S.4
  • 13
    • 84931259968 scopus 로고    scopus 로고
    • 6.3.3; Chemaxon
    • Instant JChem, 6.3.3; Chemaxon: 2014.
    • (2014) Instant J Chem
  • 14
    • 78049349961 scopus 로고    scopus 로고
    • Trust but verify: On the importance of chemical structure curation in cheminformatics and QSAR modeling research
    • Fourches, D.; Muratov, E.; Tropsha, A. Trust, but verify: on the importance of chemical structure curation in cheminformatics and QSAR modeling research. J. Chem. Inf. Model., 2010, 50 (7), 1189-1204.
    • (2010) J. Chem. Inf. Model. , vol.50 , Issue.7 , pp. 1189-1204
    • Fourches, D.1    Muratov, E.2    Tropsha, A.3
  • 16
    • 0035478854 scopus 로고    scopus 로고
    • Random forests
    • Breiman, L. Random forests. Machine Learning, 2001, 45 (1), 5-32.
    • (2001) Machine Learning , vol.45 , Issue.1 , pp. 5-32
    • Breiman, L.1
  • 19
    • 0032099978 scopus 로고    scopus 로고
    • Automatic early stopping using cross validation: Quantifying the criteria
    • Prechelt, L. Automatic early stopping using cross validation: quantifying the criteria. Neural Networks, 1998, 11 (4), 761-767.
    • (1998) Neural Networks , vol.11 , Issue.4 , pp. 761-767
    • Prechelt, L.1
  • 20
    • 0036557849 scopus 로고    scopus 로고
    • Neural network studies. 4. Introduction to associative neural networks
    • Tetko, I. V. Neural network studies. 4. introduction to associative neural networks. J. Chem. Inf. Comput. Sci., 2002, 42 (3), 717-728.
    • (2002) J. Chem. Inf. Comput. Sci. , vol.42 , Issue.3 , pp. 717-728
    • Tetko, I.V.1
  • 22
    • 61949280507 scopus 로고    scopus 로고
    • Inductive transfer of knowledge: Application of multi-task learning and feature net approaches to model tissue-air partition coefficients
    • (b) Varnek, A.; Gaudin, C.; Marcou, G.; Baskin, I.; Pandey, A. K.; Tetko, I. V., Inductive transfer of knowledge: application of multi-task learning and feature net approaches to model tissue-air partition coefficients. J. Chem. Inf. Model., 2009, 49 (1), 133-44.
    • (2009) J. Chem. Inf. Model. , vol.49 , Issue.1 , pp. 133-144
    • Varnek, A.1    Gaudin, C.2    Marcou, G.3    Baskin, I.4    Pandey, A.K.5    Tetko, I.V.6
  • 23
    • 0000259511 scopus 로고    scopus 로고
    • Approximate statistical tests for comparing supervised classification learning algorithms
    • Dietterich, T. G. Approximate statistical tests for comparing supervised classification learning algorithms. Neural Comput., 1998, 10 (7), 1895-1923.
    • (1998) Neural Comput. , vol.10 , Issue.7 , pp. 1895-1923
    • Dietterich, T.G.1
  • 24
    • 37349097759 scopus 로고    scopus 로고
    • Y-Randomization and its variants in QSPR/QSAR
    • 1549-9596 (Print)
    • Rucker, C.; Rucker, G.; Meringer, M. y-Randomization and its variants in QSPR/QSAR. J. Chem. Inf. Model., 2007, 47 (1549-9596 (Print)), 2345-2357.
    • (2007) J. Chem. Inf. Model. , vol.47 , pp. 2345-2357
    • Rucker, C.1    Rucker, G.2    Meringer, M.3
  • 25
    • 78049369209 scopus 로고    scopus 로고
    • Isolation and culture of primary hepatocytes from resected human liver tissue
    • 1940-6029 (Electronic
    • (a) Lecluyse, E. L.; Alexandre, E.; Alexandre, E. Isolation and culture of primary hepatocytes from resected human liver tissue. Methods Mol. Biol., 2010, 640 (1940-6029 (Electronic)), 57-82;
    • (2010) Methods Mol. Biol. , vol.640 , pp. 57-82
    • Lecluyse, E.L.1    Alexandre, E.2    Alexandre, E.3
  • 27
    • 4444332926 scopus 로고    scopus 로고
    • Tissue collection, transport and isolation procedures required to optimize human hepatocyte isolation from waste liver surgical resections. A multilaboratory study
    • 1478-3223 (Print)
    • Richert, L.; Alexandre, E.; Lloyd, T.; Orr, S.; Viollon-Abadie, C.; Patel, R.; Kingston, S.; Berry, D.; Dennison, A.; Heyd, B.; Mantion, G.; Jaeck, D. Tissue collection, transport and isolation procedures required to optimize human hepatocyte isolation from waste liver surgical resections. A multilaboratory study. Liver Int., 2004, 24 (1478-3223 (Print)), 371-378.
    • (2004) Liver Int. , vol.24 , pp. 371-378
    • Richert, L.1    Alexandre, E.2    Lloyd, T.3    Orr, S.4    Viollon-Abadie, C.5    Patel, R.6    Kingston, S.7    Berry, D.8    Dennison, A.9    Heyd, B.10    Mantion, G.11    Jaeck, D.12
  • 30
    • 84865858512 scopus 로고    scopus 로고
    • Plateable cryopreserved human hepatocytes for the assessment of cytochrome P450 inducibility: Experimental condition-related variables affecting their response to inducers
    • Alexandre, E.; Baze, A.; Parmentier, C.; Desbans, C.; Pekthong, D.; Gerin, B.; Wack, C.; Bachellier, P.; Heyd, B.; Weber, J. C.; Richert, L. Plateable cryopreserved human hepatocytes for the assessment of cytochrome P450 inducibility: experimental condition-related variables affecting their response to inducers. Xenobiotica, 2012, 42, 968-979.
    • (2012) Xenobiotica , vol.42 , pp. 968-979
    • Alexandre, E.1    Baze, A.2    Parmentier, C.3    Desbans, C.4    Pekthong, D.5    Gerin, B.6    Wack, C.7    Bachellier, P.8    Heyd, B.9    Weber, J.C.10    Richert, L.11
  • 31
    • 0035001145 scopus 로고    scopus 로고
    • Evaluation of hepatic subcellular fractions for Alamar blue and MTT reductase activity
    • Gonzalez, R.; Tarloff, J. Evaluation of hepatic subcellular fractions for Alamar blue and MTT reductase activity. Toxicology in vitro, 2001, 15 (3), 257-259.
    • (2001) Toxicology in Vitro , vol.15 , Issue.3 , pp. 257-259
    • Gonzalez, R.1    Tarloff, J.2
  • 32
    • 84889572681 scopus 로고    scopus 로고
    • Toxicity and intracellular accumulation of bile acids in sandwich-cultured rat hepatocytes: Role of glycine conjugates
    • Chatterjee, S.; Bijsmans, I. T. G. W.; van Mil, S. W. C.; Augustijns, P.; Annaert, P., Toxicity and intracellular accumulation of bile acids in sandwich-cultured rat hepatocytes: Role of glycine conjugates. Toxicology in Vitro, 2014, 28 (2), 218-230.
    • (2014) Toxicology in Vitro , vol.28 , Issue.2 , pp. 218-230
    • Chatterjee, S.1    Bijsmans, I.T.G.W.2    Van Mil, S.W.C.3    Augustijns, P.4    Annaert, P.5
  • 33
    • 0035313896 scopus 로고    scopus 로고
    • Screening for human ADME/Tox drug properties in drug discovery
    • Li, A. P., Screening for human ADME/Tox drug properties in drug discovery. Drug Discov. Today, 2001, 6 (7), 357-366.
    • (2001) Drug Discov. Today , vol.6 , Issue.7 , pp. 357-366
    • Li, A.P.1
  • 34
    • 0021990499 scopus 로고
    • Toxicity determined in vitro by morphological alterations and neutral red absorption
    • Borenfreund, E.; Puerner, J. A. Toxicity determined in vitro by morphological alterations and neutral red absorption. Toxicol. Lett., 1985, 24, 119-124.
    • (1985) Toxicol. Lett. , vol.24 , pp. 119-124
    • Borenfreund, E.1    Puerner, J.A.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.