Alan C. Cheng

Publication Activity (10 Years)

Years Active: 2004-2024
Publications (10 Years): 5

Top Topics

Protein Structural

Structural Model

Prediction Error

Top Venues

J. Chem. Inf. Model.

J. Cheminformatics

J. Comput. Aided Mol. Des.

Publications

Zachary A. Rollins, Alan C. Cheng, Essam Metwally
MolPROP: Molecular Property prediction with multimodal language and graph fusion. J. Cheminformatics 16 (1) (2024)
Megan A. Lim, Song Yang, Huanghao Mai, Alan C. Cheng
Exploring Deep Learning of Quantum Chemical Properties for Absorption, Distribution, Metabolism, and Excretion Predictions. J. Chem. Inf. Model. 62 (24) (2022)
Robert P. Sheridan, Prabha Karnachi, Matthew Tudor, Yuting Xu, Andy Liaw, Falgun Shah, Alan C. Cheng, Elizabeth Joshi, Meir Glick, Juan Alvarez
Experimental Error, Kurtosis, Activity Cliffs, and Methodology: What Limits the Predictivity of Quantitative Structure-Activity Relationship Models? J. Chem. Inf. Model. 60 (4) (2020)
Evan N. Feinberg, Robert P. Sheridan, Elizabeth Joshi, Vijay S. Pande, Alan C. Cheng
Step Change Improvement in ADMET Prediction with PotentialNet Deep Featurization. CoRR (2019)
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
Collaborating to improve the use of free-energy and other quantitative methods in drug discovery. J. Comput. Aided Mol. Des. 30 (12) (2016)
Kathryn A. Loving, Andy Lin, Alan C. Cheng
Structure-Based Druggability Assessment of the Mammalian Structural Proteome with Inclusion of Light Protein Flexibility. PLoS Comput. Biol. 10 (7) (2014)
Ryan G. Coleman, Anna C. Salzberg, Alan C. Cheng
Structure-Based Identification of Small Molecule Binding Sites Using a Free Energy Model. J. Chem. Inf. Model. 46 (6) (2006)
Michael A. Burr, Alan C. Cheng, Ryan G. Coleman, Diane L. Souvaine
Transformations and algorithms for least sum of squares hypersphere fitting. CCCG (2004)