workflow workflow qspr quantitative structure property
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workflow: workflow: QSPR = Quantitative Structure - PowerPoint PPT Presentation

workflow: workflow: QSPR = Quantitative Structure Property Relationship workflow: workflow: 1600 1500 1400 1300 1200 1100 1000 900 mass (Da) 800 700 600 500 400 300 200 100 0 -5 -4 -3 -2 -1


  1. • • • • •

  2. workflow:

  3. workflow:

  4. QSPR = Quantitative Structure – Property Relationship

  5. workflow:

  6. workflow:

  7. 1600 1500 1400 1300 1200 1100 1000 900 mass (Da) 800 700 600 500 400 300 200 100 0 -5 -4 -3 -2 -1 0 1 2 3 4 5 6 7 8 9 10 log 10 P ow

  8. 1600 1500 1400 1300 1200 1100 1000 900 mass (Da) 800 700 600 500 400 300 200 100 0 -5 -4 -3 -2 -1 0 1 2 3 4 5 6 7 8 9 10 log 10 P ow

  9. 1600 1500 1400 1300 1200 1100 1000 900 mass (Da) 800 700 600 500 400 300 200 100 0 -5 -4 -3 -2 -1 0 1 2 3 4 5 6 7 8 9 10 log 10 P ow

  10. 1600 1500 1400 1300 1200 1100 1000 900 mass (Da) 800 700 600 500 400 300 200 100 0 -5 -4 -3 -2 -1 0 1 2 3 4 5 6 7 8 9 10 log 10 P ow

  11. 1600 1500 1400 1300 1200 1100 1000 900 mass (Da) 800 700 600 500 400 300 200 100 0 -5 -4 -3 -2 -1 0 1 2 3 4 5 6 7 8 9 10 log 10 P ow

  12. 1600 1500 1400 (Lipitor) 1300 1200 1100 1000 900 mass (Da) 800 700 600 500 400 300 200 100 0 -5 -4 -3 -2 -1 0 1 2 3 4 5 6 7 8 9 10 log 10 P ow

  13. 1600 1500 1400 1300 1200 1100 1000 900 mass (Da) 800 700 600 500 400 300 200 100 0 -5 -4 -3 -2 -1 0 1 2 3 4 5 6 7 8 9 10 log 10 P ow

  14. 1600 1500 1400 1300 1200 1100 1000 900 mass (Da) 800 700 600 500 400 300 200 100 0 -5 -4 -3 -2 -1 0 1 2 3 4 5 6 7 8 9 10 log 10 P ow

  15. 1600 1500 1400 1300 1200 1100 1000 900 mass (Da) 800 700 600 500 400 300 200 100 0 -5 -4 -3 -2 -1 0 1 2 3 4 5 6 7 8 9 10 log 10 P ow

  16. 1600 1500 1400 1300 1200 1100 1000 900 mass (Da) 800 700 600 500 400 300 200 100 0 -5 -4 -3 -2 -1 0 1 2 3 4 5 6 7 8 9 10 log 10 P ow

  17. 1600 1500 1400 1300 1200 1100 1000 900 mass (Da) 800 700 600 500 400 300 200 100 0 -5 -4 -3 -2 -1 0 1 2 3 4 5 6 7 8 9 10 log 10 P ow

  18. 1600 1500 1400 1300 1200 1100 1000 900 mass (Da) 800 700 600 500 400 300 200 100 0 -5 -4 -3 -2 -1 0 1 2 3 4 5 6 7 8 9 10 log 10 P ow

  19. 1600 1500 1400 1300 1200 1100 1000 900 mass (Da) 800 700 600 500 400 300 200 100 0 -5 -4 -3 -2 -1 0 1 2 3 4 5 6 7 8 9 10 log 10 P ow

  20. 1600 1500 1400 1300 1200 1100 1000 900 mass (Da) 800 700 600 500 400 300 200 100 0 -5 -4 -3 -2 -1 0 1 2 3 4 5 6 7 8 9 10 log 10 P ow

  21. 1600 1500 1400 1300 1200 1100 1000 900 mass (Da) 800 700 600 500 400 300 200 100 0 -5 -4 -3 -2 -1 0 1 2 3 4 5 6 7 8 9 10 log 10 P ow

  22. 1600 1500 1400 1300 1200 1100 1000 900 mass (Da) 800 700 600 500 400 300 200 100 0 -5 -4 -3 -2 -1 0 1 2 3 4 5 6 7 8 9 10 log 10 P ow

  23. • • •

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