Descriptor that Calculates the LogP Based on a Simple Equation Using the Number of Carbons and Hetero Atoms
Parsed molucule object.
Logical. Whether the calculating process
should be shown or not, default is
This descriptor calculates the LogP based on a simple equation using the number of carbons and hetero atoms. The implemented equation was proposed in Mannhold et al.
A data frame, each row represents one of the molecules,
each column represents one feature.
This function returns one column named
Mannhold, R., Poda, G. I., Ostermann, C., & Tetko, I. V. (2009). Calculation of molecular lipophilicity: State-of-the-art and comparison of log P methods on more than 96,000 compounds. Journal of pharmaceutical sciences, 98(3), 861-893.
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