PMID- 25824844
OWN - NLM
STAT- MEDLINE
DCOM- 20160802
LR  - 20220311
IS  - 1099-1263 (Electronic)
IS  - 0260-437X (Linking)
VI  - 35
IP  - 11
DP  - 2015 Nov
TI  - Evaluation of combinations of in vitro sensitization test descriptors for the 
      artificial neural network-based risk assessment model of skin sensitization.
PG  - 1333-47
LID - 10.1002/jat.3105 [doi]
AB  - The skin sensitization potential of chemicals has been determined with the use of 
      the murine local lymph node assay (LLNA). However, in recent years public concern 
      about animal welfare has led to a requirement for non-animal risk assessment 
      systems for the prediction of skin sensitization potential, to replace LLNA. 
      Selection of an appropriate in vitro test or in silico model descriptors is 
      critical to obtain good predictive performance. Here, we investigated the utility 
      of artificial neural network (ANN) prediction models using various combinations 
      of descriptors from several in vitro sensitization tests. The dataset, collected 
      from published data and from experiments carried out in collaboration with the 
      Japan Cosmetic Industry Association (JCIA), consisted of values from the human 
      cell line activation test (h-CLAT), direct peptide reactivity assay (DPRA), SH 
      test and antioxidant response element (ARE) assay for chemicals whose LLNA 
      thresholds have been reported. After confirming the relationship between 
      individual in vitro test descriptors and the LLNA threshold (e.g. EC3 value), we 
      used the subsets of chemicals for which the requisite test values were available 
      to evaluate the predictive performance of ANN models using combinations of 
      h-CLAT/DPRA (N = 139 chemicals), the DPRA/ARE assay (N = 69), the SH test/ARE 
      assay (N = 73), the h-CLAT/DPRA/ARE assay (N = 69) and the h-CLAT/SH test/ARE 
      assay (N = 73). The h-CLAT/DPRA, h-CLAT/DPRA/ARE assay and h-CLAT/SH test/ARE 
      assay combinations showed a better predictive performance than the DPRA/ARE assay 
      and the SH test/ARE assay. Our data indicates that the descriptors evaluated in 
      this study were all useful for predicting human skin sensitization potential, 
      although combinations containing h-CLAT (reflecting dendritic cell-activating 
      ability) were most effective for ANN-based prediction.
CI  - Copyright (c) 2015 John Wiley & Sons, Ltd.
FAU - Hirota, Morihiko
AU  - Hirota M
AD  - Shiseido Research Center, Shiseido Co. Ltd., 2-2-1 Hayabuchi, Tsuzuki-ku, 
      Yokohama-shi, Kanagawa, 224-8558, Japan.
FAU - Fukui, Shiho
AU  - Fukui S
AD  - Kanebo Cosmetics Inc., 3-28, Kotobukicho 5-chome, Odawara, Kanagawa, 250-0002, 
      Japan.
FAU - Okamoto, Kenji
AU  - Okamoto K
AD  - Kanebo Cosmetics Inc., 3-28, Kotobukicho 5-chome, Odawara, Kanagawa, 250-0002, 
      Japan.
FAU - Kurotani, Satoru
AU  - Kurotani S
AD  - Kose Corporation, 1-18-4 Azusawa, Itabashi-ku, Tokyo, 174-0051, Japan.
FAU - Imai, Noriyasu
AU  - Imai N
AD  - Kose Corporation, 1-18-4 Azusawa, Itabashi-ku, Tokyo, 174-0051, Japan.
FAU - Fujishiro, Miyuki
AU  - Fujishiro M
AD  - Cosmos Technical Center Co., Ltd., 3-24-3 Hasune, Itabashi-ku, Tokyo, 174-0046, 
      Japan.
FAU - Kyotani, Daiki
AU  - Kyotani D
AD  - Cosmos Technical Center Co., Ltd., 3-24-3 Hasune, Itabashi-ku, Tokyo, 174-0046, 
      Japan.
FAU - Kato, Yoshinao
AU  - Kato Y
AD  - Nippon Menard Cosmetic Co., Ltd., 2-7, Torimi-cho, Nishi-ku, Nagoya, 451-0071, 
      Japan.
FAU - Kasahara, Toshihiko
AU  - Kasahara T
AD  - Fujifilm Corporation, 210, Nakamura, Minamiashigara-shi, Kanagawa, 250-0193, 
      Japan.
FAU - Fujita, Masaharu
AU  - Fujita M
AD  - Fujifilm Corporation, 210, Nakamura, Minamiashigara-shi, Kanagawa, 250-0193, 
      Japan.
FAU - Toyoda, Akemi
AU  - Toyoda A
AD  - Pola Chemical Industries, Inc., 560 Kashio-cho, Totsuka-ku, Yokohama, 244-0812, 
      Japan.
FAU - Sekiya, Daisuke
AU  - Sekiya D
AD  - Lion Corporation, 100, Tajima, Odawara, Kanagawa, 256-0811, Japan.
FAU - Watanabe, Shinichi
AU  - Watanabe S
AD  - Lion Corporation, 100, Tajima, Odawara, Kanagawa, 256-0811, Japan.
FAU - Seto, Hirokazu
AU  - Seto H
AD  - P&G Japan K.K., 1-17, Koyo-cho Naka, Higashinada-ku, Kobe, 658-0032, Japan.
FAU - Takenouchi, Osamu
AU  - Takenouchi O
AD  - Kao Corporation, 2606, Akabane, Ichikai-Machi, Haga-Gun, Tochigi, 321-3497.
FAU - Ashikaga, Takao
AU  - Ashikaga T
AD  - Shiseido Research Center, Shiseido Co. Ltd., 2-2-1 Hayabuchi, Tsuzuki-ku, 
      Yokohama-shi, Kanagawa, 224-8558, Japan.
FAU - Miyazawa, Masaaki
AU  - Miyazawa M
AD  - Kao Corporation, 2606, Akabane, Ichikai-Machi, Haga-Gun, Tochigi, 321-3497.
LA  - eng
PT  - Journal Article
DEP - 20150330
PL  - England
TA  - J Appl Toxicol
JT  - Journal of applied toxicology : JAT
JID - 8109495
SB  - IM
MH  - Animal Testing Alternatives/*methods
MH  - Cell Line
MH  - Dendritic Cells/metabolism
MH  - Humans
MH  - Local Lymph Node Assay
MH  - *Neural Networks, Computer
MH  - Risk Assessment
MH  - Sensitivity and Specificity
MH  - Skin/*metabolism
MH  - Skin Tests/*methods
OTO - NOTNLM
OT  - ARE
OT  - DPRA
OT  - JCIA
OT  - SH test
OT  - artificial neural network
OT  - h-CLAT
OT  - risk assessment
OT  - skin sensitization
EDAT- 2015/04/01 06:00
MHDA- 2016/08/03 06:00
CRDT- 2015/04/01 06:00
PHST- 2014/08/08 00:00 [received]
PHST- 2014/11/04 00:00 [revised]
PHST- 2014/11/22 00:00 [accepted]
PHST- 2015/04/01 06:00 [entrez]
PHST- 2015/04/01 06:00 [pubmed]
PHST- 2016/08/03 06:00 [medline]
AID - 10.1002/jat.3105 [doi]
PST - ppublish
SO  - J Appl Toxicol. 2015 Nov;35(11):1333-47. doi: 10.1002/jat.3105. Epub 2015 Mar 30.