We have done significant modifications in the DPRA profilers available in OECD QSAR Toolbox version 4.0.
The modified DPRA profilers for Cysteine and Lysine peptide depletion distinguish the chemicals with respect to two reactivity thresholds accounting for the experimental error. Chemicals are evaluated with respect to:
- DPRA 13% which corresponds to a threshold for skin sensitization (EC3) 10% (Dimitrov et al., 2016*)
- DPRA 42% which corresponds to a threshold for skin sensitization (EC3) 1% (Dimitrov et al., 2016**)
The thresholds for Cysteine and Lysine potency are the same.
*Dimitrov S., Detroyer A., Piroird C., Gomes C., Eilstein J., Pauloin T., Kuseva C., Ivanova H., Popova I., Karakolev Y., Ringeissen S., Mekenyan O., 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. J Appl Toxicol, 2016, DOI 10.1002/jat.3318.
**DPRA profilers associated with DPRA threshold of 42% and accounting for the experimental error are still under development and will be available in next versions of Toolbox