Tarune28 / MF-LOGP

Python flask application created in coordination with the WPI Dynamics Lab in order to provide interested users with the ability to use a model described in the following paper: https://jcheminf.biomedcentral.com/articles/10.1186/s13321-022-00660-1.

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 [e-mail].

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