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Topological Polar Surface Area: A Useful Descriptor in 2D-QSAR

Topological polar surface area (TPSA), which makes use of functional group contributions based on a large database of structures, is a convenient measure of the polar surface area that avoids the need to calculate ligand 3D structure or to decide which is the relevant biological conformation or conf...

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Bibliografische gegevens
Gepubliceerd in:Curr Med Chem
Hoofdauteurs: Prasanna, S., Doerksen, R. J.
Formaat: Artigo
Taal:Inglês
Gepubliceerd in: 2009
Onderwerpen:
Online toegang:https://ncbi.nlm.nih.gov/pmc/articles/PMC7549127/
https://ncbi.nlm.nih.gov/pubmed/19149561
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.2174/092986709787002817
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