مقاله‌های دارای تعهدات انتشار عمومی - Regina Barzilayبیشتر بدانید
جای دیگری دردسترس است: ۶۰
مرور
A deep learning approach to antibiotic discovery‏
JM Stokes, K Yang, K Swanson, W Jin, A Cubillos-Ruiz, NM Donghia, ...‏
Cell 180 (4), 688-702. e13, 2020‏
تعهدات: US National Science Foundation, Swiss National Science Foundation, US …‏
مرور
Junction tree variational autoencoder for molecular graph generation‏
W Jin, R Barzilay, T Jaakkola‏
International conference on machine learning, 2323-2332, 2018‏
تعهدات: US Department of Defense‏
مرور
Analyzing learned molecular representations for property prediction‏
K Yang, K Swanson, W Jin, C Coley, P Eiden, H Gao, A Guzman-Perez, ...‏
Journal of chemical information and modeling 59 (8), 3370-3388, 2019‏
تعهدات: US Department of Defense‏
مرور
De novo design of protein structure and function with RFdiffusion‏
JL Watson, D Juergens, NR Bennett, BL Trippe, J Yim, HE Eisenach, ...‏
Nature 620 (7976), 1089-1100, 2023‏
تعهدات: US National Science Foundation, US Department of Energy, Bill & Melinda …‏
مرور
Prediction of organic reaction outcomes using machine learning‏
CW Coley, R Barzilay, TS Jaakkola, WH Green, KF Jensen‏
ACS central science 3 (5), 434-443, 2017‏
تعهدات: US National Science Foundation, US Department of Defense‏
مرور
A graph-convolutional neural network model for the prediction of chemical reactivity‏
CW Coley, W Jin, L Rogers, TF Jamison, TS Jaakkola, WH Green, ...‏
Chemical science 10 (2), 370-377, 2019‏
تعهدات: US National Science Foundation, US Department of Defense‏
مرور
Convolutional embedding of attributed molecular graphs for physical property prediction‏
CW Coley, R Barzilay, WH Green, TS Jaakkola, KF Jensen‏
Journal of chemical information and modeling 57 (8), 1757-1772, 2017‏
تعهدات: US National Science Foundation, US Department of Defense‏
مرور
Hierarchical generation of molecular graphs using structural motifs‏
W Jin, R Barzilay, T Jaakkola‏
International conference on machine learning, 4839-4848, 2020‏
تعهدات: US Department of Defense‏
مرور
Predicting organic reaction outcomes with weisfeiler-lehman network‏
W Jin, C Coley, R Barzilay, T Jaakkola‏
Advances in neural information processing systems 30, 2017‏
تعهدات: US Department of Defense‏
مرور
Equibind: Geometric deep learning for drug binding structure prediction‏
H Stärk, O Ganea, L Pattanaik, R Barzilay, T Jaakkola‏
International conference on machine learning, 20503-20521, 2022‏
تعهدات: US National Science Foundation, US Department of Defense‏
مرور
Torsional diffusion for molecular conformer generation‏
B Jing, G Corso, J Chang, R Barzilay, T Jaakkola‏
Advances in neural information processing systems 35, 24240-24253, 2022‏
تعهدات: US National Science Foundation, US Department of Energy, US Department of …‏
مرور
Generative models for molecular discovery: Recent advances and challenges‏
C Bilodeau, W Jin, T Jaakkola, R Barzilay, KF Jensen‏
Wiley Interdisciplinary Reviews: Computational Molecular Science 12 (5), e1608, 2022‏
تعهدات: US Department of Defense‏
مرور
Uncertainty quantification using neural networks for molecular property prediction‏
L Hirschfeld, K Swanson, K Yang, R Barzilay, CW Coley‏
Journal of Chemical Information and Modeling 60 (8), 3770-3780, 2020‏
تعهدات: US Department of Defense‏
مرور
Multi-objective molecule generation using interpretable substructures‏
W Jin, R Barzilay, T Jaakkola‏
International conference on machine learning, 4849-4859, 2020‏
تعهدات: US Department of Defense‏
مرور
Broadly applicable and accurate protein design by integrating structure prediction networks and diffusion generative models‏
JL Watson, D Juergens, NR Bennett, BL Trippe, J Yim, HE Eisenach, ...‏
BioRxiv, 2022.12. 09.519842, 2022‏
تعهدات: US National Science Foundation, US Department of Energy, Bill & Melinda …‏
مرور
Deep learning-guided discovery of an antibiotic targeting Acinetobacter baumannii‏
G Liu, DB Catacutan, K Rathod, K Swanson, W Jin, JC Mohammed, ...‏
Nature Chemical Biology 19 (11), 1342-1350, 2023‏
تعهدات: US Department of Defense, Canadian Institutes of Health Research, Genome Canada‏
مرور
Current and future roles of artificial intelligence in medicinal chemistry synthesis‏
TJ Struble, JC Alvarez, SP Brown, M Chytil, J Cisar, RL DesJarlais, ...‏
Journal of medicinal chemistry 63 (16), 8667-8682, 2020‏
تعهدات: US Department of Defense‏
مرور
Automatically generating wikipedia articles: A structure-aware approach‏
C Sauper, R Barzilay‏
Proceedings of the Joint Conference of the 47th Annual Meeting of the ACL …, 2009‏
تعهدات: US National Institutes of Health‏
مرور
A deep learning model to triage screening mammograms: a simulation study‏
A Yala, T Schuster, R Miles, R Barzilay, C Lehman‏
Radiology 293 (1), 38-46, 2019‏
تعهدات: Susan G. Komen‏
مرور
Toward robust mammography-based models for breast cancer risk‏
A Yala, PG Mikhael, F Strand, G Lin, K Smith, YL Wan, L Lamb, K Hughes, ...‏
Science Translational Medicine 13 (578), eaba4373, 2021‏
تعهدات: Susan G. Komen‏
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