Takip et
Wenhao Gao
Wenhao Gao
Graduate Student, Chemical Engineering, MIT
mit.edu üzerinde doğrulanmış e-posta adresine sahip - Ana Sayfa
Başlık
Alıntı yapanlar
Alıntı yapanlar
Yıl
Scientific discovery in the age of artificial intelligence
H Wang, T Fu, Y Du, W Gao, K Huang, Z Liu, P Chandak, S Liu, ...
Nature 620 (7972), 47-60, 2023
1050*2023
The synthesizability of molecules proposed by generative models
W Gao, CW Coley
Journal of chemical information and modeling 60 (12), 5714-5723, 2020
3272020
Therapeutics Data Commons: Machine learning datasets and tasks for drug discovery and development
K Huang, T Fu, W Gao, Y Zhao, Y Roohani, J Leskovec, CW Coley, ...
Thirty-fifth Conference on Neural Information Processing Systems Track on …, 2021
3242021
Deep learning in protein structural modeling and design
W Gao, SP Mahajan, J Sulam, JJ Gray
Patterns 1 (9), 2020
2142020
Sample Efficiency Matters: A Benchmark for Practical Molecular Optimization
W Gao, T Fu, J Sun, CW Coley
Thirty-sixth Conference on Neural Information Processing Systems Track on …, 2022
1442022
Artificial intelligence foundation for therapeutic science
K Huang, T Fu, W Gao, Y Zhao, Y Roohani, J Leskovec, CW Coley, ...
Nature Chemical Biology 18 (10), 1033-1036, 2022
1322022
Differentiable Scaffolding Tree for Molecular Optimization
T Fu, W Gao, C Xiao, J Yasonik, CW Coley, J Sun
Tenth International Conference on Learning Representations, 2021
802021
Amortized tree generation for bottom-up synthesis planning and synthesizable molecular design
W Gao, R Mercado, CW Coley
Tenth International Conference on Learning Representations, 2021
732021
Reinforced Genetic Algorithm for Structure-based Drug Design
T Fu, W Gao, CW Coley, J Sun
Thirty-sixth Conference on Neural Information Processing Systems, 2022
672022
Autonomous platforms for data-driven organic synthesis
W Gao, P Raghavan, CW Coley
Nature Communications 13 (1), 1075, 2022
462022
Pairwise Difference Regression: A Machine Learning Meta-algorithm for Improved Prediction and Uncertainty Quantification in Chemical Search
M Tynes, W Gao, DJ Burrill, ER Batista, D Perez, P Yang, N Lubbers
Journal of Chemical Information and Modeling 61 (8), 3846-3857, 2021
372021
Efficient evolutionary search over chemical space with large language models
H Wang, M Skreta, CT Ser, W Gao, L Kong, F Strieth-Kalthoff, C Duan, ...
arXiv preprint arXiv:2406.16976, 2024
9*2024
Projecting Molecules into Synthesizable Chemical Spaces
S Luo, W Gao, Z Wu, J Peng, CW Coley, J Ma
arXiv preprint arXiv:2406.04628, 2024
72024
TDC-2: Multimodal Foundation for Therapeutic Science
A Velez-Arce, K Huang, M Li, X Lin, W Gao, T Fu, M Kellis, BL Pentelute, ...
bioRxiv, 2024.06. 12.598655, 2024
62024
Double-Ended Synthesis Planning with Goal-Constrained Bidirectional Search
K Yu, J Roh, Z Li, W Gao, R Wang, CW Coley
arXiv preprint arXiv:2407.06334, 2024
52024
Closing the Execution Gap in Generative AI for Chemicals and Materials: Freeways or Safeguards
A Subramanian, W  Gao, R Barzilay, JC Grossman, T  Jaakkola, ...
An MIT Exploration of Generative AI, https://doi.org/10.21428/e4baedd9.92e511e3, 2024
52024
Generative Artificial Intelligence for Navigating Synthesizable Chemical Space
W Gao, S Luo, CW Coley
arXiv preprint arXiv:2410.03494, 2024
32024
Syntax-Guided Procedural Synthesis of Molecules
M Sun, A Lo, W Gao, M Guo, V Thost, J Chen, C Coley, W Matusik
arXiv preprint arXiv:2409.05873, 2024
22024
Development of a Protein Folding Environment for Reinforcement Learning
W Gao
Johns Hopkins University, 2020
22020
Substrate Scope Contrastive Learning: Repurposing Human Bias to Learn Atomic Representations
W Gao, P Raghavan, R Shprints, CW Coley
arXiv preprint arXiv:2402.16882, 2024
12024
Sistem, işlemi şu anda gerçekleştiremiyor. Daha sonra yeniden deneyin.
Makaleler 1–20