1.

2. =f() 3. 4. 5. 6. 7. 8. Toxicity MW Series of CONGENERIES 9. 10. 11.

Discriminant Analysis

CART

KNN

Fuzzy logic

Multi Variate Analysis (MVA)

Self Organizing Map (SOM)

Support Vector Machine(SVM)

f(x) regressions classification x1 x2 12. 13. 14. REACH promotes Innovation (Article 1)All Infoshould be used QSARis mentioned 15. TARGET is Environment / Man 16.

Innovation(also in view of thousands of new data - ToxCast)

Time for experiments

Occurrence of enough laboratories/resources

Costs

Animals

Prioritization needs

Pro-active approach for safer chemicals

Seven Reasons to use QSAR 17. 18.

• CMR

• PBT

• vPvB

Theres alarger agreement

onthe use of non-animal values

QSAR can be used 19.

• More requirementscompared to prioritization

• Procedure defined

• Lack of data accepted presenting the documentation

Predicted valuescanbe better

thanlack of data

QSAR can be used 20.

• Continuous values and categories

• Strict requirements

• Use of additional information( all data ): weight of evidenceORkey study

QSAR can be used 21. PHYSICO-CHEMICAL PROPERTIEShavelowexperimental variability andmany data CHRONIC HUMAN TOXICITYhashighvariabilityandlow number of data 22. On one sidewe have the starting data for a certainendpoint , at the basis of the model On the other sidewe have a specific use 23. 24. 25. 26.