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Isayev, E.
77
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Online (77)
Mediatypes
Articles (Online) (43)
Bookchapter (Online) (3)
OpenAccess-fulltext (31)
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english (58)
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1
Club 35 Moderated Poster Session - Part B: 11/12/2013, 09:3..:
Tuluce, K.
;
Yakar Tuluce, S.
;
Isayev, E.
...
European Heart Journal - Cardiovascular Imaging. 14 (2013) suppl 2 - p. ii7-ii8 , 2013
Link:
https://doi.org/10.1093/..
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2
Displacement and the Humanities: Manifestos from the Ancien..:
Isayev, E
;
Jewell, E
Humanities Journal. , 2023
Link:
http://hdl.handle.net/10..
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3
Community assessment to advance computational prediction of..:
Menden MP
;
Wang D
;
Mason MJ
...
info:eu-repo/semantics/altIdentifier/pmid/31209238. , 2019
Link:
https://hdl.handle.net/1..
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4
Themed collection on Insightful Machine Learning for Physic..:
Clark, Aurora E.
;
Dral, Pavlo O.
;
Tamblyn, Isaac
.
Physical Chemistry Chemical Physics. 25 (2023) 34 - p. 22563-22564 , 2023
Link:
https://doi.org/10.1039/..
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5
Extending the Applicability of the ANI Deep Learning Molecu..:
Devereux, Christian
;
Smith, Justin S.
;
Huddleston, Kate K.
...
Journal of Chemical Theory and Computation. 16 (2020) 7 - p. 4192-4202 , 2020
Link:
https://doi.org/10.1021/..
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6
TorchANI: A Free and Open Source PyTorch-Based Deep Learnin..:
Gao, Xiang
;
Ramezanghorbani, Farhad
;
Isayev, Olexandr
..
Journal of Chemical Information and Modeling. 60 (2020) 7 - p. 3408-3415 , 2020
Link:
https://doi.org/10.1021/..
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7
The ANI-1ccx and ANI-1x data sets, coupled-cluster and dens..:
Smith, Justin S.
;
Zubatyuk, Roman
;
Nebgen, Benjamin
...
Scientific Data. 7 (2020) 1 - p. , 2020
Link:
https://doi.org/10.1038/..
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8
To understand how migrations affect human securities, look ..:
Altschul, Jeffrey H.
;
Kintigh, Keith W.
;
Aldenderfer, Mark
...
Proceedings of the National Academy of Sciences of the United States of America. 117 (2020) 34 - p. 20342-20345 , 2020
Link:
https://www.jstor.org/st..
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9
To understand how migrations affect human securities, look ..:
Altschul, Jeffrey H.
;
Kintigh, Keith W.
;
Aldenderfer, Mark
...
Proceedings of the National Academy of Sciences. 117 (2020) 34 - p. 20342-20345 , 2020
Link:
https://doi.org/10.1073/..
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10
Approaching coupled cluster accuracy with a general-purpose..:
Smith, Justin S.
;
Nebgen, Benjamin T.
;
Zubatyuk, Roman
...
Nature Communications. 10 (2019) 1 - p. , 2019
Link:
https://doi.org/10.1038/..
?
11
Effect of Chemotherapeutic Agents on the Expression of Reti..:
Isayev, O.
;
Zhu, Y.
;
Gasimov, E.
..
Biochemistry (Moscow). 84 (2019) 11 - p. 1424-1432 , 2019
Link:
https://doi.org/10.1134/..
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12
Transforming Computational Drug Discovery with Machine Lear..:
Smith, Justin S.
;
Roitberg, Adrian E.
;
Isayev, Olexandr
ACS Medicinal Chemistry Letters. 9 (2018) 11 - p. 1065-1069 , 2018
Link:
https://doi.org/10.1021/..
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13
EP-1507: Tumor response rate depending on PIK3CA mutation s..:
Akbarov, K.
;
Isayev, I.
;
Melikova, L.
..
Radiotherapy and Oncology. 127 (2018) - p. S817 , 2018
Link:
https://doi.org/10.1016/..
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14
Less is more: Sampling chemical space with active learning:
Smith, Justin S.
;
Nebgen, Ben
;
Lubbers, Nicholas
..
The Journal of Chemical Physics. 148 (2018) 24 - p. , 2018
Link:
https://doi.org/10.1063/..
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15
Transferable Dynamic Molecular Charge Assignment Using Deep..:
Nebgen, Benjamin
;
Lubbers, Nicholas
;
Smith, Justin S.
...
Journal of Chemical Theory and Computation. 14 (2018) 9 - p. 4687-4698 , 2018
Link:
https://doi.org/10.1021/..
1-15