The document discusses several topics related to quantitative structure-activity relationship (QSAR) modeling including: 1) A chemical reaction converting pyrylium to pyridinium salt. 2) Hansch analysis, which is not a linear free energy relationship, and includes terms for various molecular properties. 3) A diagram depicting the workflow for QSAR modeling which includes steps for calculating descriptors, filtering features, building models, and making predictions. 4) The concept of a "Meta QSAR" system for automating decision making in QSAR modeling through various software agents.

1. From Hammett to the Semantic Web David Leahy

2. Pyrylium to Pyridinium Salt Conversion RNH2 O R N

5. Hansch Analysis is not a LFER Log 1/C = k 1 P - k 2 P 2 + k 3  + k 4 Es + k 5

6. Structures Data Descriptor Descriptor Descriptor Descriptor Test Set Filter Filter Filter Filter Model Model Model Model Transform Transform Train Train Predict Predict Predict Predict Predict Predict Predict Predict

7. Calculate Descriptors Filter feature request ... Model build request ... Calculate descriptors request ... responses responses responses Planner Model Build Filter Features

8. Calculate Descriptors Filter feature request ... Model build request ... Calculate descriptors request ... responses responses responses responses responses responses Planner Model Build Filter Features Calculate Descriptors

9. Meta QSAR: Automation of Decision Making in QSAR Modelling

10. Scientist Planner Broker Info Agent repository Info Agent repository Info Agent repository Info Agent repository Compute Agent Services Compute Agent Services Parser Agent Web page Web page Web page