Construct · 1 fields · 1 citations

topological polar surface area: a standalone construct

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Medicinal chemistry

sum of surface contributions of polar atoms computed from fragment values, used to predict intestinal absorption and brain penetration.

In medicinal chemistry, topological polar surface area refers to sum of surface contributions of polar atoms computed from fragment values, used to predict intestinal absorption and brain penetration. This meaning comes from Ertl (2000) in Journal of Medicinal Chemistry.[1]

Unit
Recovery means
Measured by

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Nearby constructs

3/75 rule1 fields · 1 citationsanchor · a standalone construct absorption6 fields · 6 citationsjingle · one word, six constructs BOILED-Egg1 fields · 1 citationsanchor · a standalone construct

References

Ertl, P., Rohde, B., & Selzer, P. (2000). Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties. Journal of Medicinal Chemistry, 43(20), 3714-3717. https://doi.org/10.1021/jm000942e

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