Dimensionally reduced machine learning model for predicting single component octanol–water partition coefficients companion application
A companion application for the Molecular Formula LOGP (MF-LOGP) algorithm made in coordination with the WPI Dynamics lab that can predict single component partition coefficients for organic compounds simply with its molecular formula.
For all questions, contact Dr. Andrew Teixeira at arteixeira@wpi.edu.
API Documentation: https://documenter.getpostman.com/view/21582686/2s9Xy3srDe
Visit https://github.com/TeixeiraResearchLab/MF-LOGP_Development- for more information.
Application built by Tarun Eswar | Model developed by David Kenney