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    2 research outputs found

    Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties

    Author
    1. Blake J. F.
    2. Clark D. E
    3. Clark D. E
    4. Clark D. E.
    5. George A
    6. Kelder J.
    7. Krarup L. H.
    8. Lipinski C. A.
    9. Palm K.
    10. Palm K.
    11. Palm K.
    12. Pickett S. D.
    13. Sadowski J.
    14. Stenberg P.
    15. Stenberg P.
    16. Stenberg P.
    17. van de Waterbeemd H.
    18. van de Waterbeemd H.
    19. Weininger D. SMILES
    20. Winiwarter S.
    21. World Drug Index Database
    Publication venue
    'American Chemical Society (ACS)'
    Publication date
    Field of study
    No full text
    Crossref

    Development of Quantitative Structure−Property Relationship Models for Early ADME Evaluation in Drug Discovery. 1. Aqueous Solubility

    Author
    1. Abraham M. H.
    2. Clark D. E
    3. Clog P.
    4. Ertl P.
    5. Hansch C.
    6. Huuskonen J
    7. Huuskonen J.
    8. Isnard P.
    9. Kelder J.
    10. Krarup L. H.
    11. Lipinski C. A.
    12. Lipinski C. A.
    13. Mitchell B. E.
    14. Myrdal P. B.
    15. Palm K.
    16. Palm K.
    17. Palm K.
    18. Plus
    19. So S.-S.
    20. Stenberg P.
    21. Stenberg P.
    22. Syracuse Research Corporation
    23. World Drug Index Database
    24. Yalkowsky S. H.
    25. Yalkowsky S. H.
    26. Yalkowsky S. H.
    Publication venue
    'American Chemical Society (ACS)'
    Publication date
    Field of study
    No full text
    Crossref
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