SwePub
Sök i LIBRIS databas

  Utökad sökning

L773:0267 8357 OR L773:1464 3804
 

Sökning: L773:0267 8357 OR L773:1464 3804 > Improvement of quan...

LIBRIS Formathandbok  (Information om MARC21)
FältnamnIndikatorerMetadata
00007753naa a2200829 4500
001oai:DiVA.org:su-167688
003SwePub
008190402s2019 | |||||||||||000 ||eng|
009oai:DiVA.org:oru-83058
009oai:prod.swepub.kib.ki.se:140522924
0247 a https://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-1676882 URI
0247 a https://doi.org/10.1093/mutage/gey0312 DOI
0247 a https://urn.kb.se/resolve?urn=urn:nbn:se:oru:diva-830582 URI
0247 a http://kipublications.ki.se/Default.aspx?queryparsed=id:1405229242 URI
040 a (SwePub)sud (SwePub)orud (SwePub)ki
041 a engb eng
042 9 SwePub
072 7a ref2 swepub-contenttype
072 7a art2 swepub-publicationtype
1001 a Honma, Masamitsuu Division of Genetics and Mutagenesis, National Institute of Health Sciences, Kawasaki Ku, Japan4 aut
2451 0a Improvement of quantitative structure-activity relationship (QSAR) tools for predicting Ames mutagenicity :b outcomes of the Ames/QSAR International Challenge Project
264 c 2018-10-23
264 1a Oxford :b Oxford University Press (OUP),c 2019
338 a print2 rdacarrier
500 a Forskningsfinansiär: Ministry of Health, Labour and Welfare, Japan, Grant Number: H27-Chemistry-Designation-005, H28-Food-General-001, H30-Chemistry-Destination-005
520 a The International Conference on Harmonization (ICH) M7 guideline allows the use of in silico approaches for predicting Ames mutagenicity for the initial assessment of impurities in pharmaceuticals. This is the first international guideline that addresses the use of quantitative structure-activity relationship (QSAR) models in lieu of actual toxicological studies for human health assessment. Therefore, QSAR models for Ames mutagenicity now require higher predictive power for identifying mutagenic chemicals. To increase the predictive power of QSAR models, larger experimental datasets from reliable sources are required. The Division of Genetics and Mutagenesis, National Institute of Health Sciences (DGM/NIHS) of Japan recently established a unique proprietary Ames mutagenicity database containing 12140 new chemicals that have not been previously used for developing QSAR models. The DGM/NIHS provided this Ames database to QSAR vendors to validate and improve their QSAR tools. The Ames/QSAR International Challenge Project was initiated in 2014 with 12 QSAR vendors testing 17 QSAR tools against these compounds in three phases. We now present the final results. All tools were considerably improved by participation in this project. Most tools achieved >50% sensitivity (positive prediction among all Ames positives) and predictive power (accuracy) was as high as 80%, almost equivalent to the inter-laboratory reproducibility of Ames tests. To further increase the predictive power of QSAR tools, accumulation of additional Ames test data is required as well as re-evaluation of some previous Ames test results. Indeed, some Ames-positive or Ames-negative chemicals may have previously been incorrectly classified because of methodological weakness, resulting in false-positive or false-negative predictions by QSAR tools. These incorrect data hamper prediction and are a source of noise in the development of QSAR models. It is thus essential to establish a large benchmark database consisting only of well-validated Ames test results to build more accurate QSAR models.
650 7a NATURVETENSKAPx Biologi0 (SwePub)1062 hsv//swe
650 7a NATURAL SCIENCESx Biological Sciences0 (SwePub)1062 hsv//eng
650 7a MEDICIN OCH HÄLSOVETENSKAPx Medicinska och farmaceutiska grundvetenskaperx Farmakologi och toxikologi0 (SwePub)301022 hsv//swe
650 7a MEDICAL AND HEALTH SCIENCESx Basic Medicinex Pharmacology and Toxicology0 (SwePub)301022 hsv//eng
650 7a NATURVETENSKAPx Data- och informationsvetenskapx Bioinformatik0 (SwePub)102032 hsv//swe
650 7a NATURAL SCIENCESx Computer and Information Sciencesx Bioinformatics0 (SwePub)102032 hsv//eng
653 a quantitative structure-activity relationship
653 a mutagenic effect
653 a datasets
7001 a Kitazawa, Airiu Division of Genetics and Mutagenesis, National Institute of Health Sciences, Kawasaki Ku, Japan4 aut
7001 a Cayley, Alexu Lhasa Limited, Leeds, England4 aut
7001 a Williams, Richard V.u Lhasa Limited, Leeds, England4 aut
7001 a Barber, Chrisu Lhasa Limited, Leeds, England4 aut
7001 a Hanser, Thierryu Lhasa Limited, Leeds, England4 aut
7001 a Saiakhov, Roustemu MultiCASE Inc., Beachwood, USA4 aut
7001 a Chakravarti, Sumanu MultiCASE Inc., Beachwood, USA4 aut
7001 a Myatt, Glenn J.u Leadscope Inc., Columbus, USA4 aut
7001 a Cross, Kevin P.u Leadscope Inc., Columbus, USA,Laboratory of Mathematical Chemistry, As Zlatarov University, Bourgas, Bulgaria4 aut
7001 a Benfenati, Emiliou Istituto di Ricerche Farmacologiche Mario Negri IRCCS, Milano, Italy4 aut
7001 a Raitano, Giuseppau Istituto di Ricerche Farmacologiche Mario Negri IRCCS, Milano, Italy4 aut
7001 a Mekenyan, Ovanesu Laboratory of Mathematical Chemistry, As Zlatarov University, Bourgas, Bulgaria4 aut
7001 a Petkov, Petko4 aut
7001 a Bossa, Ceciliau Istituto Superiore di Sanita', Rome, Italy4 aut
7001 a Benigni, Romualdou Istituto Superiore di Sanita', Rome, Italy; Alpha-Pretox, Rome, Italy4 aut
7001 a Battistelli, Chiara Laurau Istituto Superiore di Sanita', Rome, Italy4 aut
7001 a Giuliani, Alessandrou Istituto Superiore di Sanita', Rome, Italy4 aut
7001 a Tcheremenskaia, Olgau Istituto Superiore di Sanita', Rome, Italy4 aut
7001 a DeMeo, Christineu Prous Institute, Barcelona, Spain4 aut
7001 a Norinder, Ulfu Stockholms universitet,Institutionen för data- och systemvetenskap,Swetox, Karolinska Institutet, Sweden,Unit of Toxicology Sciences, Karolinska Institute, Södertälje, Sweden; Department of Computer and Systems Sciences, Stockholm University, Kista, Sweden4 aut0 (Swepub:oru)unr
7001 a Koga, Hiromiu Fujitsu Kyushu Systems Limited, Fukuoka, Japan4 aut
7001 a Jose, Ciloyu Fujitsu Kyushu Systems Limited, Fukuoka, Japan4 aut
7001 a Jeliazkova, Ninau IdeaConsult Ltd., Sofia, Bulgaria4 aut
7001 a Kochev, Nikolayu IdeaConsult Ltd., Sofia, Bulgaria; Department of Analytical Chemistry and Computer Chemistry, University of Plovdiv, Plovdiv, Bulgaria4 aut
7001 a Paskaleva, Vesselinau Department of Analytical Chemistry and Computer Chemistry, University of Plovdiv, Plovdiv, Bulgaria4 aut
7001 a Yang, Chihaeu Molecular Networks GmbH, Nürnberg, Germany; Altamira LLC, Columbus, USA4 aut
7001 a Daga, Pankaj R.u Simulations Plus Inc., Lancaster, USA4 aut
7001 a Clark, Robert D.u Simulations Plus Inc., Lancaster, USA4 aut
7001 a Rathman, Jamesu Molecular Networks GmbH, Nürnberg, Germany; Altamira LLC, Columbus, USA; Ohio State University, Columbus, USA4 aut
7102 a Division of Genetics and Mutagenesis, National Institute of Health Sciences, Kawasaki Ku, Japanb Lhasa Limited, Leeds, England4 org
7730 t Mutagenesisd Oxford : Oxford University Press (OUP)g 34:1, s. 3-16q 34:1<3-16x 0267-8357x 1464-3804
8564 u https://doi.org/10.1093/mutage/gey031y Fulltext
8564 u https://doi.org/10.1093/mutage/gey031
8564 8u https://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-167688
8564 8u https://doi.org/10.1093/mutage/gey031
8564 8u https://urn.kb.se/resolve?urn=urn:nbn:se:oru:diva-83058
8564 8u http://kipublications.ki.se/Default.aspx?queryparsed=id:140522924

Hitta via bibliotek

Till lärosätets databas

Kungliga biblioteket hanterar dina personuppgifter i enlighet med EU:s dataskyddsförordning (2018), GDPR. Läs mer om hur det funkar här.
Så här hanterar KB dina uppgifter vid användning av denna tjänst.

 
pil uppåt Stäng

Kopiera och spara länken för att återkomma till aktuell vy