Research

Publications, datasets, and ongoing research at WPI Predict.

WPI Predict supports research in machine learning, computational chemistry, and molecular property prediction. This page serves as the central repository for publications, datasets, supplementary materials, and current research initiatives developed through the project.

Research Publications

Research publications and supporting documents will be available here as they are released.

Graphical abstract for MF-LOGP publication

Dimensionally Reduced Machine Learning Model for Predicting Single Component Octanol-Water Partition Coefficients

David H. Kenney, Randy C. Paffenroth, Michael T. Timko, Andrew R. Teixeira

Journal of Cheminformatics • 2023

Representative figure for HTL Biocrude Yield publication

Prediction of Biocrude Yields from Hydrothermal Liquefaction Using Machine Learning

David H. Kenney, Michael T. Timko, Andrew R. Teixeira

Energy & Fuels • 2022

Representative figure for Plastic Pyrolysis publication

Machine Learning Predictions of Plastic Pyrolysis Oil Yields and Application to Thermodynamic Analysis

David H. Kenney, Michael T. Timko, Andrew R. Teixeira

Energy & Fuels • 2023

Research Repository

This page will continue to expand as new prediction models, publications, datasets, and supplementary materials become available through the WPI Predict research project.