Molecular properties

wclogp(mol::SimpleMolGraph) -> Float64

Return predicted logP value calculated by using Wildman and Crippen method.

Reference

1. Wildman, S. A. and Crippen, G. M. (1999). Prediction of Physicochemical Parameters by Atomic Contributions. Journal of Chemical Information and Modeling, 39(5), 868–873. https://doi.org/10.1021/ci990307l