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PubPharm (25)
1
Acceleration of Graph Neural Network-Based Prediction Models in Chemistry via Co-Design Optimization on Intelligence Processing Units
enthalten in:
Journal of chemical information and modeling
| 2024
von
Helal, H.
|
Firoz, J.
|
Bilbrey, J.
| +10
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2
An open database of computed bulk ternary transition metal dichalcogenides
enthalten in:
Scientific data
| 2023
von
Muller, S.
|
Prange, M.
|
Lu, Z.
| +2
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3
Active sampling for neural network potentials : Accelerated simulations of shear-induced deformation in Cu-Ni multilayers
enthalten in:
The Journal of chemical physics
| 2023
von
Sprueill, H.
|
Bilbrey, J.
|
Pang, Q.
| +1
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4
Decoding the protein-ligand interactions using parallel graph neural networks
enthalten in:
Scientific reports
| 2022
von
Knutson, C.
|
Bontha, M.
|
Bilbrey, J.
| +1
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5
Decoding the Protein-ligand Interactions Using Parallel Graph Neural Networks
enthalten in:
arXiv.org
| 2021
von
Knutson, C.
|
Bontha, M.
|
Bilbrey, J.
| +1
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6
Benchmarking Deep Graph Generative Models for Optimizing New Drug Molecules for COVID-19
enthalten in:
arXiv.org
| 2021
von
Ward, L.
|
Bilbrey, J.
|
Choudhury, S.
| +2
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7
A look inside the black box : Using graph-theoretical descriptors to interpret a Continuous-Filter Convolutional Neural Network (CF-CNN) trained on the global and local minimum energy structures of neutral water clusters
enthalten in:
The Journal of chemical physics
| 2020
von
Bilbrey, J.
|
Heindel, J.
|
Schram, M.
| +3
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8
Tracking the Chemical Evolution of Iodine Species Using Recurrent Neural Networks
enthalten in:
ACS omega
| 2020
von
Bilbrey, J.
|
Marrero, C.
|
Sassi, M.
| +3
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9
Ring-Walking of Zerovalent Nickel on Aryl Halides
enthalten in:
Journal of chemical theory and computation
| 2017
von
Bilbrey, J.
|
Bootsma, A.
|
Bartlett, M.
| +3
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10
Degradable Polycaprolactone and Polylactide Homopolymer and Block Copolymer Brushes Prepared by Surface-Initiated Polymerization with Triazabicyclodecene and Zirconium Catalysts
enthalten in:
Langmuir : the ACS journal of surfaces and colloids
| 2015
von
Grubbs, J.
|
Arnold, R.
|
Roy, A.
| +4
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2
Research Support, U.S. Gov't, Non-P.H.S.
1
24980-41-4
1
2VC6P60SLN
1
459TN2L5F5
1
5TWQ1V240M
1
84928-92-7
1
Azabicyclo Compounds
1
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1
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1
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1
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1
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1
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1
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Erscheinungszeitraum
8
2020-
17
2010-2019
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18
Englisch
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