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ORCIDWenhao Gao 0001
Person information
- unicode name: 高文昊
- affiliation: Los Alamos National Laboratory, Los Alamos, NM, USA
- affiliation: Massachusetts Institue of Technology (MIT), Department of Chemical Engineering, Cambridge, MA, USA
- affiliation (former): Johns Hopkins University, Department of Chemical and Biomolecular Engineering, Baltimore, MD, USA
Other persons with the same name
- Wenhao Gao — disambiguation page
- Wenhao Gao 0002
![[0000-0002-7568-246X]](https://dblp1.uni-trier.de/img/orcid-mark.12x12.png "0000-0002-7568-246X")
— China University of Geosciences, School of Computer Science Wuhan, China - Wenhao Gao 0003 — University of Science and Technology of China, Key Laboratory of Software Engineering in Computing and Communication, Hefei, China
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Journal Articles
- 2023
[j4]Hanchen Wang, Tianfan Fu, Yuanqi Du, Wenhao Gao, Kexin Huang, Ziming Liu, Payal Chandak, Shengchao Liu, Peter Van Katwyk, Andreea Deac, Anima Anandkumar, Karianne Bergen, Carla P. Gomes, Shirley Ho, Pushmeet Kohli, Joan Lasenby, Jure Leskovec, Tie-Yan Liu, Arjun Manrai, Debora S. Marks, Bharath Ramsundar, Le Song, Jimeng Sun, Jian Tang, Petar Velickovic, Max Welling, Linfeng Zhang, Connor W. Coley, Yoshua Bengio, Marinka Zitnik:
Scientific discovery in the age of artificial intelligence. Nat. 620(7972): 47-60 (2023)- 2021
- [j3]Michael Tynes, Wenhao Gao, Daniel J. Burrill, Enrique R. Batista, Danny Perez, Ping Yang, Nicholas Lubbers:
Pairwise Difference Regression: A Machine Learning Meta-algorithm for Improved Prediction and Uncertainty Quantification in Chemical Search. J. Chem. Inf. Model. 61(8): 3846-3857 (2021) - 2020
- [j2]Wenhao Gao, Connor W. Coley:
The Synthesizability of Molecules Proposed by Generative Models. J. Chem. Inf. Model. 60(12): 5714-5723 (2020) - [j1]Wenhao Gao, Sai Pooja Mahajan, Jeremias Sulam, Jeffrey J. Gray:
Deep Learning in Protein Structural Modeling and Design. Patterns 1(9): 100142 (2020)
Conference and Workshop Papers
- 2022
- [c5]Tianfan Fu, Wenhao Gao, Cao Xiao, Jacob Yasonik, Connor W. Coley, Jimeng Sun:
Differentiable Scaffolding Tree for Molecule Optimization. ICLR 2022 - [c4]Wenhao Gao, Rocío Mercado, Connor W. Coley:
Amortized Tree Generation for Bottom-up Synthesis Planning and Synthesizable Molecular Design. ICLR 2022 - [c3]Wenhao Gao, Tianfan Fu, Jimeng Sun, Connor W. Coley:
Sample Efficiency Matters: A Benchmark for Practical Molecular Optimization. NeurIPS 2022 - [c2]Tianfan Fu, Wenhao Gao, Connor W. Coley, Jimeng Sun:
Reinforced Genetic Algorithm for Structure-based Drug Design. NeurIPS 2022 - 2021
- [c1]Kexin Huang, Tianfan Fu, Wenhao Gao, Yue Zhao, Yusuf Roohani, Jure Leskovec, Connor W. Coley, Cao Xiao, Jimeng Sun, Marinka Zitnik:
Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development. NeurIPS Datasets and Benchmarks 2021
Informal and Other Publications
- 2024
- [i8]Wenhao Gao, Priyanka Raghavan, Ron Shprints, Connor W. Coley:
Substrate Scope Contrastive Learning: Repurposing Human Bias to Learn Atomic Representations. CoRR abs/2402.16882 (2024) - 2022
- [i7]Wenhao Gao, Tianfan Fu, Jimeng Sun, Connor W. Coley:
Sample Efficiency Matters: A Benchmark for Practical Molecular Optimization. CoRR abs/2206.12411 (2022) - [i6]Tianfan Fu, Wenhao Gao, Connor W. Coley, Jimeng Sun:
Reinforced Genetic Algorithm for Structure-based Drug Design. CoRR abs/2211.16508 (2022) - 2021
- [i5]Kexin Huang, Tianfan Fu, Wenhao Gao, Yue Zhao, Yusuf Roohani, Jure Leskovec, Connor W. Coley, Cao Xiao, Jimeng Sun, Marinka Zitnik:
Therapeutics Data Commons: Machine Learning Datasets and Tasks for Therapeutics. CoRR abs/2102.09548 (2021) - [i4]Tianfan Fu, Wenhao Gao, Cao Xiao, Jacob Yasonik, Connor W. Coley, Jimeng Sun:
Differentiable Scaffolding Tree for Molecular Optimization. CoRR abs/2109.10469 (2021) - [i3]Wenhao Gao, Rocío Mercado, Connor W. Coley:
Amortized Tree Generation for Bottom-up Synthesis Planning and Synthesizable Molecular Design. CoRR abs/2110.06389 (2021) - 2020
- [i2]Wenhao Gao, Connor W. Coley:
The Synthesizability of Molecules Proposed by Generative Models. CoRR abs/2002.07007 (2020) - [i1]Wenhao Gao, Sai Pooja Mahajan, Jeremias Sulam, Jeffrey J. Gray:
Deep Learning in Protein Structural Modeling and Design. CoRR abs/2007.08383 (2020)
Coauthor Index
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