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Wenhao Gao
Wenhao Gao
Graduate Student, Chemical Engineering, MIT
Bestätigte E-Mail-Adresse bei mit.edu - Startseite
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Zitiert von
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Jahr
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
635*2023
The synthesizability of molecules proposed by generative models
W Gao, CW Coley
Journal of chemical information and modeling 60 (12), 5714-5723, 2020
2802020
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
2692021
Deep learning in protein structural modeling and design
W Gao, SP Mahajan, J Sulam, JJ Gray
Patterns 1 (9), 2020
2002020
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
1082022
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
1042022
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
722021
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
542021
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
502022
Autonomous platforms for data-driven organic synthesis
W Gao, P Raghavan, CW Coley
Nature Communications 13 (1), 1075, 2022
412022
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
352021
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
22024
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
22024
Development of a Protein Folding Environment for Reinforcement Learning
W Gao
Johns Hopkins University, 2020
22020
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
12024
Projecting Molecules into Synthesizable Chemical Spaces
S Luo, W Gao, Z Wu, J Peng, CW Coley, J Ma
arXiv preprint arXiv:2406.04628, 2024
12024
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
Efficient Evolutionary Search Over Chemical Space with Large Language Models
H Wang, M Skreta, CT Ser, W Gao, L Kong, F Streith-Kalthoff, C Duan, ...
arXiv preprint arXiv:2406.16976, 2024
2024
AUTODIFF: Autoregressive Diffusion Modeling for Structure-based Drug Design
X Li, P Wang, T Fu, W Gao, C Li, L Shi, J Liu
arXiv preprint arXiv:2404.02003, 2024
2024
Publisher Correction: 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 621 (7978), E33, 2023
2023
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