메뉴 건너뛰기




Volumn 3, Issue 1, 2007, Pages 109-124

Toxicological and clinical computational analysis and the US FDA/CDER

Author keywords

Computational toxicology; Predictive modeling; QSAR; Quantitative structure activity relationship

Indexed keywords

METHYLTHIOURACIL; NEW DRUG; DRUG;

EID: 34250306426     PISSN: 17425255     EISSN: None     Source Type: Journal    
DOI: 10.1517/17425255.3.1.109     Document Type: Review
Times cited : (31)

References (17)
  • 2
    • 0032458218 scopus 로고    scopus 로고
    • A new highly specific method for predicting the carcinogenic potential of pharmaceuticals in rodents using enhanced MCASE QSAR ES software
    • MATTHEWS EJ, CONTRERA JF: A new highly specific method for predicting the carcinogenic potential of pharmaceuticals in rodents using enhanced MCASE QSAR ES software. Regul. Toxicol. Pharmacol. (1998) 28:242-264.
    • (1998) Regul. Toxicol. Pharmacol , vol.28 , pp. 242-264
    • MATTHEWS, E.J.1    CONTRERA, J.F.2
  • 3
    • 0242624535 scopus 로고    scopus 로고
    • Predicting the carcinogenic potential of pharmaceuticals in rodents using molecular structural similarity and E-state indices
    • CONTRERA JF, MATTHEWS EJ, BENZ RD: Predicting the carcinogenic potential of pharmaceuticals in rodents using molecular structural similarity and E-state indices. Regul. Toxicol. Pharmacol. (2003) 38:243-259.
    • (2003) Regul. Toxicol. Pharmacol , vol.38 , pp. 243-259
    • CONTRERA, J.F.1    MATTHEWS, E.J.2    BENZ, R.D.3
  • 4
    • 32544452551 scopus 로고    scopus 로고
    • An analysis of genetic toxicity, reproductive and developmental toxicity, and carcinogenicity data: I. Identification of carcinogens using surrogate endpoints
    • MATTHEWS EJ, KRUHLAK NL, CIMINO MC, BENZ RD, CONTRERA JF: An analysis of genetic toxicity, reproductive and developmental toxicity, and carcinogenicity data: I. Identification of carcinogens using surrogate endpoints. Regul. Toxicol. Pharmacol. (2006) 44:83-96.
    • (2006) Regul. Toxicol. Pharmacol , vol.44 , pp. 83-96
    • MATTHEWS, E.J.1    KRUHLAK, N.L.2    CIMINO, M.C.3    BENZ, R.D.4    CONTRERA, J.F.5
  • 5
    • 27744582712 scopus 로고    scopus 로고
    • In silico screening of chemicals for bacterial mutagenicity using electrotopological E-state indices and MDL QSAR software
    • CONTRERA JF, MATTHEWS EJ, KRUHLAK NL, BENZ RD: In silico screening of chemicals for bacterial mutagenicity using electrotopological E-state indices and MDL QSAR software. Regul. Toxicol. Pharmacol. (2005) 43:313-323.
    • (2005) Regul. Toxicol. Pharmacol , vol.43 , pp. 313-323
    • CONTRERA, J.F.1    MATTHEWS, E.J.2    KRUHLAK, N.L.3    BENZ, R.D.4
  • 6
    • 34548153724 scopus 로고    scopus 로고
    • Analysis of reproductive and developmental toxicity data: I. Development of weight of evidence QSAR database
    • In Press
    • MATTHEWS EJ, BENZ RD, KRUHLAK NL, CONTRERA JF: Analysis of reproductive and developmental toxicity data: I. Development of weight of evidence QSAR database. Regul. Toxicol. Pharmacol. (2007) (In Press)
    • (2007) Regul. Toxicol. Pharmacol
    • MATTHEWS, E.J.1    BENZ, R.D.2    KRUHLAK, N.L.3    CONTRERA, J.F.4
  • 7
    • 8844287955 scopus 로고    scopus 로고
    • Assessment of the health effects of chemicals in humans: I. QSAR estimation of the maximum recommended therapeutic dose (MRTD) and no effect level (NOEL) of organic chemicals based on clinical trial data
    • MATTHEWS EJ, KRUHLAK NL, BENZ RD, CONTRERA JF: Assessment of the health effects of chemicals in humans: I. QSAR estimation of the maximum recommended therapeutic dose (MRTD) and no effect level (NOEL) of organic chemicals based on clinical trial data. Curr. Drug Disc. Technol. (2004) 1:61-76.
    • (2004) Curr. Drug Disc. Technol , vol.1 , pp. 61-76
    • MATTHEWS, E.J.1    KRUHLAK, N.L.2    BENZ, R.D.3    CONTRERA, J.F.4
  • 8
    • 8844236997 scopus 로고    scopus 로고
    • Estimating the safe starting dose in Phase I clinical trials and no observed effect level based on QSAR modeling of the human maximum recommended daily dose
    • CONTRERA JF, MATTHEWS EJ, KRUHLAK NL, BENZ PLD: Estimating the safe starting dose in Phase I clinical trials and no observed effect level based on QSAR modeling of the human maximum recommended daily dose. Regul. Toxicol. Pharmacol. (2004) 40:185-206.
    • (2004) Regul. Toxicol. Pharmacol , vol.40 , pp. 185-206
    • CONTRERA, J.F.1    MATTHEWS, E.J.2    KRUHLAK, N.L.3    BENZ, P.L.D.4
  • 9
    • 0021529312 scopus 로고
    • Artificial intelligence approach to structure-activity studies. Computer automated structure evaluation of biological activity of organic molecules
    • KLOPMAN G: Artificial intelligence approach to structure-activity studies. Computer automated structure evaluation of biological activity of organic molecules. J. Am. Chem. Soc. (1984) 106:7315-7320.
    • (1984) J. Am. Chem. Soc , vol.106 , pp. 7315-7320
    • KLOPMAN, G.1
  • 10
    • 21744437416 scopus 로고    scopus 로고
    • QSAR modelling of carcinogenic risk using discriminant analysis and topological molecular descriptors
    • CONTRERA JF, MACLAUGHLIN P, HALL LH, KIER LB: QSAR modelling of carcinogenic risk using discriminant analysis and topological molecular descriptors. Curr. Drug Discov. Tecnol. (2005) 2:55-67.
    • (2005) Curr. Drug Discov. Tecnol , vol.2 , pp. 55-67
    • CONTRERA, J.F.1    MACLAUGHLIN, P.2    HALL, L.H.3    KIER, L.B.4
  • 11
    • 0018424479 scopus 로고
    • Describing the validity of carcinogen screening tests
    • COOPER JA, SARACCI R, COLE P: Describing the validity of carcinogen screening tests. Br. J. Cancer (1979) 39:87-89.
    • (1979) Br. J. Cancer , vol.39 , pp. 87-89
    • COOPER, J.A.1    SARACCI, R.2    COLE, P.3
  • 12
    • 32544435283 scopus 로고    scopus 로고
    • Analysis of genetic toxicity, reproductive and developmental toxicity, and carcinogenicity data: II. Identification of genotoxicants, reprotoxicants, and carcinogens using in silico methods
    • MATTHEWS EJ, KRUHLAK NL, CIMINO MC, BENZ RD, CONTRERA JF: Analysis of genetic toxicity, reproductive and developmental toxicity, and carcinogenicity data: II. Identification of genotoxicants, reprotoxicants, and carcinogens using in silico methods. Regul Toxicol. Pharmacol. (2006) 44:97-110.
    • (2006) Regul Toxicol. Pharmacol , vol.44 , pp. 97-110
    • MATTHEWS, E.J.1    KRUHLAK, N.L.2    CIMINO, M.C.3    BENZ, R.D.4    CONTRERA, J.F.5
  • 13
    • 33846880679 scopus 로고    scopus 로고
    • A comprehensive model for reproductive and developmental toxicity hazard identification: II. Construction of Q6SAR models to predict activities of untested chemicals
    • In Press
    • MATTHEWS EJ, KRUHLAK NL, BENZ RD, IVANOV J, KLOPMAN G, CONTRERA JF: A comprehensive model for reproductive and developmental toxicity hazard identification: II. Construction of Q6SAR models to predict activities of untested chemicals. Regul. Toxicol. Pharmacol. (2007) (In Press).
    • (2007) Regul. Toxicol. Pharmacol
    • MATTHEWS, E.J.1    KRUHLAK, N.L.2    BENZ, R.D.3    IVANOV, J.4    KLOPMAN, G.5    CONTRERA, J.F.6
  • 15
    • 33846820291 scopus 로고    scopus 로고
    • Progress in QSAR toxicity screening of impurities in pharmaceuticals and other FDA regulated products
    • In Press
    • KRUHLAK NL, BENZ RD, MATTHEWS EJ, CONTRERA JF: Progress in QSAR toxicity screening of impurities in pharmaceuticals and other FDA regulated products. Adv. Drug Deliv. Rev. (2007) (In Press).
    • (2007) Adv. Drug Deliv. Rev
    • KRUHLAK, N.L.1    BENZ, R.D.2    MATTHEWS, E.J.3    CONTRERA, J.F.4
  • 16
    • 0037204541 scopus 로고    scopus 로고
    • Computer systems for the prediction of toxicity: An update
    • GREENE N: Computer systems for the prediction of toxicity: an update. Adv. Drug Deliv. Rev. (2002) 54:417-431.
    • (2002) Adv. Drug Deliv. Rev , vol.54 , pp. 417-431
    • GREENE, N.1
  • 17
    • 2442548465 scopus 로고    scopus 로고
    • Assessment of the sensitivity of the computational programs DEREK, TOPKAT and MCASE in the prediction of the genotoxicity of pharmaceutical molecules
    • SNYDER DR, PEARL GS, MANDAKAS G, CHOY WN, GOODSAID F, ROSENBLUM IY: Assessment of the sensitivity of the computational programs DEREK, TOPKAT and MCASE in the prediction of the genotoxicity of pharmaceutical molecules. Environ. Mol. Mutagen. (2004) 43:143-158.
    • (2004) Environ. Mol. Mutagen , vol.43 , pp. 143-158
    • SNYDER, D.R.1    PEARL, G.S.2    MANDAKAS, G.3    CHOY, W.N.4    GOODSAID, F.5    ROSENBLUM, I.Y.6


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.