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ORCIDAlan C. Cheng
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2020 – today
- 2024
[j8]Zachary A. Rollins, Alan C. Cheng, Essam Metwally:
MolPROP: Molecular Property prediction with multimodal language and graph fusion. J. Cheminformatics 16(1): 56 (2024)- [j7]Matthew Adrian
, Yunsie Chung, Alan C. Cheng:
Denoising Drug Discovery Data for Improved Absorption, Distribution, Metabolism, Excretion, and Toxicity Property Prediction. J. Chem. Inf. Model. 64(16): 6324-6337 (2024) - [j6]Cas Wognum, Jeremy R. Ash, Matteo Aldeghi, Raquel Rodríguez-Pérez, Cheng Fang, Alan C. Cheng, Daniel J. Price, Djork-Arné Clevert, Ola Engkvist, W. Patrick Walters:
A call for an industry-led initiative to critically assess machine learning for real-world drug discovery. Nat. Mac. Intell. 6(10): 1120-1121 (2024) - 2022
- [j5]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): 6336-6341 (2022) - 2020
- [j4]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): 1969-1982 (2020)
2010 – 2019
- 2019
- [i1]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 abs/1903.11789 (2019) - 2016
- [j3]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): 1139-1141 (2016) - 2014
- [j2]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)
2000 – 2009
- 2006
- [j1]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): 2631-2637 (2006) - 2004
- [c1]Michael A. Burr, Alan C. Cheng, Ryan G. Coleman, Diane L. Souvaine:
Transformations and algorithms for least sum of squares hypersphere fitting. CCCG 2004: 104-107
Coauthor Index
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