Derek, LeadScope and SciQSAR (MDl-QSAR) Preclinical Toxicology Screening

Carcinogenicity                                                                                                      Rodent carcinogenicity (6, 7, 8)
Rat Carcinogenicity (9)
Mouse Carcinogenicity (9)

Genetic Toxicity (10, 11)
Salmonella composite: TA97,TA98, TA100,TA1535,TA1536,TA1537,TA1538
Fungal composite: Combination of results from all gene mutation tests using Saccharomyces cerevisiae, Aspergillus nigans, and Neurospora crassa.
Mammalian Mutation In Vivo: Combination of results from all in vivo dominant lethal, heritable translocation, and specific locus gene mutation tests in rats, mice and other rodents.
Mammalian Mutation In Vitro: Results of the mouse lymphoma mutation gene mutation assays at the thymidine kinase (tk) locus using L5178Y cells in culture.
Mammalian Mutation, Hgprt composite: Combination of results from all in vitro Chinese hamster ovary (CHO) and Chinese hamster lung (CHL) gene mutation tests using the hgprt locus.
Chromosome Aberrations In Vivo: Combination of results from all in vivo chromosome aberrations tests conducted in rats, mice.                                 Micronucleus In Vivo: Combination of results from all in vivo micronucleus tests conducted in rats, mice.                                                            Chromosome Aberrations In Vitro: Combination of results from all in vitro chromosome aberration tests using Chinese hamster ovary (CHO) cells, Chinese hamster lung (CHL) cells, human peripheral blood lymphocytes (HPBL), and other mammalian cell cultures.
Unscheduled DNA synthesis (UDS) composite: Combination of results from all in vitro UDS tests conducted in primary rat liver, and human peripheral blood lymphocyte and fibroblast cell cultures. 

Maximum Recommended Daily Dose (MRDD) and No Effect Level (NOEL): (12) [MDL-QSAR only] 
Phospholipidosis (13) [MDL-QSAR only]

Additional LeadScope and Derek Non-Clinical FDA QSAR Suites

Reproductive Toxicity; Developmental Toxicity; Neurotoxicity; Hepatotoxicity; HERG Channel Inhibition; Skin Sensitization

LeadScope Human Clinical Adverse Events Suites

Human Adverse Cardiological Effects; Hepatobiliary Effects; Urinary Tract Effects

Consensus Predictions are Available Using Multiple Software Platforms 

Multiple predictive software platforms such as MDL-QSAR, LeadScope and Derek that employ different predictive algorithms are being used by the US FDA. In consensus predicting the results from multiple platforms are combined (9). Consensus predictions offer an additional measure of the degree of concordance and confidence and can also supply additional mechanistic insights into the molecular basis of predictions.

SciQSAR Prediction of TD50 (carcinogenic potency) and the Risk Specific Dose for Genotoxic Impurities. J.F.Contrera,(2011), Regul. Toxicol. Pharmacol. 59, 133-141.