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Treffer 1 - 25 von 66819, Suchdauer: 0.57s

12 3 4 5 6 7 8 9 10 11 weiter »

1
Hydrolysis Reaction Rate Prediction Using Machine Learning: WaterDRoP

von Lemay, Amélie C. ; Coley, Connor W. ; Plata, Desirée L.

Environmental Science & Technology. 60(17):13088-13098
- View full text at ACS Publications
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2
Higher-Level Strategies for Computer-Aided Retrosynthesis

von Roh, Jihye ; Joung, Joonyoung F. ; Yu, Kevin ; et al.

ACS Central Science. 12(3):345-357
- View full text at ACS Publications
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3
Benchmarking Universal Machine-Learned Interatomic Potentials for High-Temperature Metal-Organic Framework Chemistry

von Edwards, Connor W. ; Evans, Jack D.

Schlagworte: Materials Science; Chemical Physics
- View full text via Arxiv
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4
FRIGID: Scaling Diffusion-Based Molecular Generation from Mass Spectra at Training and Inference Time

von Bohde, Montgomery ; Liu, Hongxuan ; Manjrekar, Mrunali ; et al.

Schlagworte: Machine Learning; Quantitative Methods
- View full text via Arxiv
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5
Energy Landscape and Stability in Random Heteropolymers: Somewhere Between Protein Folding and Plastic Miscibility

von Jin, Tianyi ; Coley, Connor W. ; Alexander-Katz, Alfredo

Macromolecules. 59(4):2315-2327
- View full text at ACS Publications
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6
Chemprop v2: An Efficient, Modular Machine Learning Package for Chemical Property Prediction

von Graff, David E. ; Morgan, Nathan K. ; Burns, Jackson W. ; et al.

Journal of Chemical Information and Modeling. 66(1):28-33
- View full text at ACS Publications
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7
MLIP-MC: A Framework for Adsorption Simulations using Machine-Learned Interatomic Potentials

von Edwards, Connor W. ; Yang, Fengxu ; Stracke, Konstantin ; et al.

Schlagworte: Materials Science
- Volltextverfügbarkeit prüfen (via ReDI)
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8
An Efficient Synchronization Method Robust to the Effects of Wideband Doppler

von Gaffney, Connor W. ; Narayanan, Ram M. ; Jenkins, David M.

NAECON 2025 - IEEE National Aerospace and Electronics Conference National Aerospace and Electronics Conference, NAECON 2025 - IEEE. :1-5 Jul, 2025
- Zum Volltext in IEEE Xplore
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9
Generative structural elucidation from mass spectra as an iterative optimization problem

von Manjrekar, Mrunali ; Wang, Runzhong ; Goldman, Samuel ; et al.

Schlagworte: Quantitative Methods; Neural and Evolutionary Computing
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10
Simulations of High Temperature Decomposition of Metal-Organic Frameworks to form Amorphous Catalysts

von Edwards, Connor W. ; Linder-Patton, Oliver M. ; Evans, Jack D.

Schlagworte: Materials Science; Disordered Systems and Neural Networks
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11
Random Heteropolymers Enable Nonspecific Protein Binding and Loop-Mediated Stabilization

von Jin, Tianyi ; Dagadu, Akorfa ; Coley, Connor W. ; et al.

ACS Nano. 19(45):39259-39271
- View full text at ACS Publications
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12
Pressure-Driven Loading of Large Guests in Metal–Organic Frameworks

von Tang, Lu ; Edwards, Connor W. ; Stracke, Konstantin ; et al.

ACS Nano. 19(43):37994-38003
- View full text at ACS Publications
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13
Magnetocaloric Effect in a Microporous Material Using a Rare-Earth-Free, Hybrid Perovskite

von Dalton, Connor W. ; Wang, Tian ; Morrison, Gregory ; et al.

Journal of the American Chemical Society. 147(43):39401-39407
- View full text at ACS Publications
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14
Anticipating the Selectivity of Intramolecular Cyclization Reaction Pathways with Neural Network Potentials

von Casetti, Nicholas ; Anstine, Dylan ; Isayev, Olexandr ; et al.

Journal of Chemical Theory and Computation. 21(20):10362-10372
- View full text at ACS Publications
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15
Angular Divergent Component of Motion: A Step Towards Planning Spatial DCM Objectives for Legged Robots

von Herron, Connor W. ; Schuller, Robert ; Beiter, Benjamin C. ; et al.

2025 IEEE International Conference on Robotics and Automation (ICRA) Robotics and Automation (ICRA), 2025 IEEE International Conference on. :390-396 May, 2025
- Zum Volltext in IEEE Xplore
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16
Anomeric Selectivity of Glycosylations through a Machine Learning Lens

von Faurschou, Natasha Videcrantz ; Friis, Victor ; Raghavan, Priyanka ; et al.

Journal of the American Chemical Society. 147(40):36197-36209
- View full text at ACS Publications
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17
Efficient and Programmable Exploration of Synthesizable Chemical Space

von Luo, Shitong ; Coley, Connor W.

Schlagworte: Machine Learning; Biomolecules
- Volltextverfügbarkeit prüfen (via ReDI)
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18
Evaluating Mechanical Property Prediction across Material Classes using Molecular Dynamics Simulations with Universal Machine-Learned Interatomic Potentials

von Stracke, Konstantin ; Edwards, Connor W. ; Evans, Jack D.

Schlagworte: Materials Science
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19
Cinematic rendering in traumatic musculoskeletal injuries of the lower extremity: a pictorial review

von Lugo-Fagundo, Elias ; Smith, Connor W. ; Krueger, Sebastian ; et al.

Emergency Radiology: A Journal of Practical Imaging Official Journal of the American Society of Emergency Radiology. :1-13
- Zum Volltext (via ReDI)
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20
A Genetic Algorithm for Navigating Synthesizable Molecular Spaces

von Lo, Alston ; Coley, Connor W. ; Matusik, Wojciech

Schlagworte: Machine Learning; Quantitative Methods
- Volltextverfügbarkeit prüfen (via ReDI)
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21
Optimization of Robotic Liquid Handling as a Capacitated Vehicle Routing Problem

von Wu, Guangqi ; Wang, Runzhong ; Coley, Connor W.

Schlagworte: Mathematics - Optimization and Control; Computer Science - Robotics
- Volltextverfügbarkeit prüfen (via ReDI)
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22
ASKCOS: Open-Source, Data-Driven Synthesis Planning

von Tu, Zhengkai ; Choure, Sourabh J. ; Fong, Mun Hong ; et al.

Accounts of Chemical Research. 58(11):1764-1775
- View full text at ACS Publications
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23
PANDORA: The Open-Source, Structurally Elastic Humanoid Robot

von Herron, Connor W. ; Fuge, Alexander J. ; Beiter, Benjamin C. ; et al.

2024 IEEE-RAS 23rd International Conference on Humanoid Robots (Humanoids) Humanoid Robots (Humanoids), 2024 IEEE-RAS 23rd International Conference on. :24-31 Nov, 2024
- Zum Volltext in IEEE Xplore
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24
Batched Bayesian Optimization by Maximizing the Probability of Including the Optimum

von Fromer, Jenna ; Wang, Runzhong ; Manjrekar, Mrunali ; et al.

Journal of Chemical Information and Modeling. 65(10):4808-4817
- View full text at ACS Publications
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25
Challenging Reaction Prediction Models to Generalize to Novel Chemistry

von Bradshaw, John ; Zhang, Anji ; Mahjour, Babak ; et al.

ACS Central Science. 11(4):539-549
- View full text at ACS Publications
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