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Typical Data Matrix for QSAR
| Chemical Identifier | Activity (X) | Property/Descriptor (Y) |
||||
|---|---|---|---|---|---|---|
| Fragment 1 | Fragment 2 | Fragment 3 | … | Fragment n | ||
| Molecule i | Xi | Y1i | Y2i | Y3i | … | Yni |
| Molecule ii | Xii | Y1ii | Y2ii | Y3ii | … | Ynii |
| Molecule iii | Xiii | Y1iii | Y2iii | Y3iii | … | Yniii |
| …. | … | … | … | … | … | … |
| Molecule n | Xn | Y1n | Y2n | Y3n | … | Ynn |
