Alan C. Cheng

According to our database, Alan C. Cheng authored at least 8 papers between 2004 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of three.

2024

MolPROP: Molecular Property prediction with multimodal language and graph fusion.

Zachary A. Rollins, Alan C. Cheng, Essam Metwally

J. Cheminformatics, December, 2024

2022

Exploring Deep Learning of Quantum Chemical Properties for Absorption, Distribution, Metabolism, and Excretion Predictions.

Megan A. Lim, Song Yang, Huanghao Mai, Alan C. Cheng

J. Chem. Inf. Model., 2022

2020

Experimental Error, Kurtosis, Activity Cliffs, and Methodology: What Limits the Predictivity of Quantitative Structure-Activity Relationship Models?

Robert P. Sheridan, Prabha Karnachi, Matthew Tudor, Yuting Xu, Andy Liaw, Falgun Shah, Alan C. Cheng, Elizabeth Joshi, Meir Glick, Juan Alvarez

J. Chem. Inf. Model., 2020

2019

Step Change Improvement in ADMET Prediction with PotentialNet Deep Featurization.

Evan N. Feinberg, Robert P. Sheridan, Elizabeth Joshi, Vijay S. Pande, Alan C. Cheng

CoRR, 2019

2016

Collaborating to improve the use of free-energy and other quantitative methods in drug discovery.

Bradley Sherborne, Veerabahu Shanmugasundaram, Alan C. Cheng, Clara D. Christ, Renee L. DesJarlais, José S. Duca, Richard A. Lewis, Deborah A. Loughney, Eric S. Manas, Georgia B. McGaughey, Catherine E. Peishoff, Herman van Vlijmen

J. Comput. Aided Mol. Des., 2016

2014

Structure-Based Druggability Assessment of the Mammalian Structural Proteome with Inclusion of Light Protein Flexibility.

Kathryn A. Loving, Andy Lin, Alan C. Cheng

PLoS Comput. Biol., 2014

2006

Structure-Based Identification of Small Molecule Binding Sites Using a Free Energy Model.

Ryan G. Coleman, Anna C. Salzberg, Alan C. Cheng

J. Chem. Inf. Model., 2006

2004

Transformations and algorithms for least sum of squares hypersphere fitting.

Michael A. Burr, Alan C. Cheng, Ryan G. Coleman, Diane L. Souvaine

Proceedings of the 16th Canadian Conference on Computational Geometry, 2004