PMID- 27080242
OWN - NLM
STAT- MEDLINE
DCOM- 20170710
LR  - 20170713
IS  - 1099-1263 (Electronic)
IS  - 0260-437X (Linking)
VI  - 36
IP  - 12
DP  - 2016 Dec
TI  - Accounting for data variability, a key factor in in vivo/in vitro relationships: 
      application to the skin sensitization potency (in vivo LLNA versus in vitro DPRA) 
      example.
PG  - 1568-1578
LID - 10.1002/jat.3318 [doi]
AB  - When searching for alternative methods to animal testing, confidently rescaling 
      an in vitro result to the corresponding in vivo classification is still a 
      challenging problem. Although one of the most important factors affecting good 
      correlation is sample characteristics, they are very rarely integrated into 
      correlation studies. Usually, in these studies, it is implicitly assumed that 
      both compared values are error-free numbers, which they are not. In this work, we 
      propose a general methodology to analyze and integrate data variability and thus 
      confidence estimation when rescaling from one test to another. The methodology is 
      demonstrated through the case study of rescaling the in vitro Direct Peptide 
      Reactivity Assay (DPRA) reactivity to the in vivo Local Lymph Node Assay (LLNA) 
      skin sensitization potency classifications. In a first step, a comprehensive 
      statistical analysis evaluating the reliability and variability of LLNA and DPRA 
      as such was done. These results allowed us to link the concept of gray zones and 
      confidence probability, which in turn represents a new perspective for a more 
      precise knowledge of the classification of chemicals within their in vivo OR in 
      vitro test. Next, the novelty and practical value of our methodology introducing 
      variability into the threshold optimization between the in vitro AND in vivo test 
      resides in the fact that it attributes a confidence probability to the predicted 
      classification. The methodology, classification and screening approach presented 
      in this study are not restricted to skin sensitization only. They could be 
      helpful also for fate, toxicity and health hazard assessment where plenty of in 
      vitro and in chemico assays and/or QSARs models are available. Copyright (c) 2016 
      John Wiley & Sons, Ltd.
CI  - Copyright (c) 2016 John Wiley & Sons, Ltd.
FAU - Dimitrov, S
AU  - Dimitrov S
AD  - Laboratory of Mathematical Chemistry, University "Prof. As. Zlatarov", 8010, 
      Bourgas, Bulgaria.
FAU - Detroyer, A
AU  - Detroyer A
AD  - L'Oreal R&I, Aulnay-sous-Bois, France.
FAU - Piroird, C
AU  - Piroird C
AD  - L'Oreal R&I, Aulnay-sous-Bois, France.
FAU - Gomes, C
AU  - Gomes C
AD  - L'Oreal R&I, Aulnay-sous-Bois, France.
FAU - Eilstein, J
AU  - Eilstein J
AD  - L'Oreal R&I, Aulnay-sous-Bois, France.
FAU - Pauloin, T
AU  - Pauloin T
AD  - L'Oreal R&I, Aulnay-sous-Bois, France.
FAU - Kuseva, C
AU  - Kuseva C
AD  - Laboratory of Mathematical Chemistry, University "Prof. As. Zlatarov", 8010, 
      Bourgas, Bulgaria.
FAU - Ivanova, H
AU  - Ivanova H
AD  - Laboratory of Mathematical Chemistry, University "Prof. As. Zlatarov", 8010, 
      Bourgas, Bulgaria.
FAU - Popova, I
AU  - Popova I
AD  - Laboratory of Mathematical Chemistry, University "Prof. As. Zlatarov", 8010, 
      Bourgas, Bulgaria.
FAU - Karakolev, Y
AU  - Karakolev Y
AD  - Laboratory of Mathematical Chemistry, University "Prof. As. Zlatarov", 8010, 
      Bourgas, Bulgaria.
FAU - Ringeissen, S
AU  - Ringeissen S
AD  - L'Oreal R&I, Aulnay-sous-Bois, France.
FAU - Mekenyan, O
AU  - Mekenyan O
AD  - Laboratory of Mathematical Chemistry, University "Prof. As. Zlatarov", 8010, 
      Bourgas, Bulgaria. omekenya@btu.bg.
LA  - eng
PT  - Journal Article
PT  - Research Support, Non-U.S. Gov't
DEP - 20160415
PL  - England
TA  - J Appl Toxicol
JT  - Journal of applied toxicology : JAT
JID - 8109495
RN  - 0 (Cosmetics)
RN  - 0 (Peptides)
SB  - IM
MH  - Animal Testing Alternatives/*methods
MH  - Animals
MH  - Cosmetics/chemistry/toxicity
MH  - *Dermatitis, Contact/immunology/metabolism
MH  - Dose-Response Relationship, Drug
MH  - In Vitro Techniques
MH  - *Local Lymph Node Assay
MH  - Mice
MH  - Peptides/chemistry/metabolism
MH  - Sensitivity and Specificity
MH  - Skin/*drug effects/immunology/metabolism
MH  - Skin Tests
OTO - NOTNLM
OT  - DPRA
OT  - EU cosmetics regulation
OT  - LLNA
OT  - alternative methods
OT  - in vitro
OT  - in vivo
OT  - skin sensitization
EDAT- 2016/04/16 06:00
MHDA- 2017/07/14 06:00
CRDT- 2016/04/16 06:00
PHST- 2015/12/11 00:00 [received]
PHST- 2016/02/01 00:00 [revised]
PHST- 2016/02/11 00:00 [accepted]
PHST- 2016/04/16 06:00 [pubmed]
PHST- 2017/07/14 06:00 [medline]
PHST- 2016/04/16 06:00 [entrez]
AID - 10.1002/jat.3318 [doi]
PST - ppublish
SO  - J Appl Toxicol. 2016 Dec;36(12):1568-1578. doi: 10.1002/jat.3318. Epub 2016 Apr 
      15.