Slide 1.
Slide 2. Interface, Feature Set and Performance
Slide 3. ACD/Chemsketch Structure Drawing Interface
Slide 4. From Structure to LogP
Slide 5. Internal and User Databases
Slide 6. User Database for Self-Training
Slide 7. Direct Hit on User Training System
Slide 8. LogP Results Interface showing User Training Impact
Slide 9. pKa Results Interface
Slide 10. LogD Results Interface
Slide 11. Boiling Point Prediction Results Interface
Slide 12. Vapor Pressure Prediction Results Interface
Slide 13. ACD Run Button for Menu of Module Choices...
Slide 14. Advanced Cemistry Development. Applied Calculation Algorithms
Slide 15. Scheme of Working of ACD/LogP Program
Slide 16. Arrangement of LogP calculation methods in order of prediction accuracy for 48 drugs presented by Mannhold et al.
Slide 17. Results of correlations between logPexp (Mannhold et al.) and logP calculated by different methods
Slide 18. Comparison of ACD, KOWWIN and CLOGP methods of logP prediction for 48 drugs from Mannhold et al.
Slide 19. Calculation of LogP by ACD/LogP and SciLogP. Comparison of Calculation Accuracy.
Slide 20. Algorithm of Calculation of Boiling Point. Part 1.
Slide 21. Algorithm of Calculation of Boiling Point. Part 2.
Slide 22. Comparison of BP calculation accuracy of different group additive increments methods
Slide 23. Comparison of Boiling Point Calculation Results for Different Data Sets
Slide 24. Calculation of Additive Properties: MR, MV, Pr. Correlation Results
Slide 25. Calculation of Related Properties: d20, n20, g20. Correlation Results
Slide 26. Scheme of Working of ACD/pKa Program
Slide 27. Comparison of pKa calculation by different methods (ACD/pKa, PKALC and SPARC) for selected drugs
Slide 28. Calculation of Related Properties
Slide 29. Calculation of Flash Point
Slide 30. Scheme of Deprotonation/Distribution for a-Alanine
Slide 31. Comparison of LogP and LogD correlations with Enzyme Binding Constants. Cathepsin A
Slide 32. Comparison of LogP and LogD correlations with Enzyme Binding Constants. Carboxypeptidase Y.
Slide 33. Calculation of Aqueous Solubility at 25ºC
Slide 34. Physical Property Prediction Modules
Slide 35. ACD/Chemsketch Free from www.acdlabs.com Over 14500 downloads to date.
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