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
Nan Xiao <https://nanx.me>
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.
1 2 3 4 5
Add the following code to your website.
For more information on customizing the embed code, read Embedding Snippets.