E-LIB Suche - Ergebnisse für: Tsuda, Koji

1

Automated odor-blending with one-pot Bayesian optimization:

Fukui, Yota ; Minami, Kosuke ; Shiba, Kota...
Digital Discovery. 3 (2024) 5 - p. 969-976 , 2024

Link: https://doi.org/10.1039/..

2

Accelerated chemical science with AI:

Back, Seoin ; Aspuru-Guzik, Alán ; Ceriotti, Michele...
Digital Discovery. 3 (2024) 1 - p. 23-33 , 2024

Link: https://doi.org/10.1039/..

3

Theoretical Insight into the Origin of Dielectric and Magne..:

Sumita, Masato ; Takahashi, Hisanao ; Sugita, Tomoya.
The Journal of Physical Chemistry C. 128 (2024) 3 - p. 1386-1392 , 2024

Link: https://doi.org/10.1021/..

4

Extensive antibody search with whole spectrum black-box opt..:

Tučs, Andrejs ; Ito, Tomoyuki ; Kurumida, Yoichi...
Scientific Reports. 14 (2024) 1 - p. , 2024

Link: https://doi.org/10.1038/..

5

Selection of target-binding proteins from the information o..:

Ito, Tomoyuki ; Nguyen, Thuy Duong ; Saito, Yutaka...
mAbs. 15 (2023) 1 - p. , 2023

Link: https://doi.org/10.1080/..

6

Chemical design with GPU-based Ising machines:

Mao, Zetian ; Matsuda, Yoshiki ; Tamura, Ryo.
Digital Discovery. 2 (2023) 4 - p. 1098-1103 , 2023

Link: https://doi.org/10.1039/..

7

Differentiable optimization layers enhance GNN-based mitosi..:

Zhang, Haishan ; Nguyen, Dai Hai ; Tsuda, Koji
Scientific Reports. 13 (2023) 1 - p. , 2023

Link: https://doi.org/10.1038/..

8

3D-Sensitive Encoding of Pharmacophore Features:

Berenger, Francois ; Tsuda, Koji
Journal of Chemical Information and Modeling. 63 (2023) 8 - p. 2360-2369 , 2023

Link: https://doi.org/10.1021/..

9

NIMS-OS: an automation software to implement a closed loop ..:

Tamura, Ryo ; Tsuda, Koji ; Matsuda, Shoichi
Science and Technology of Advanced Materials: Methods. 3 (2023) 1 - p. , 2023

Link: https://doi.org/10.1080/..

10

Revealing factors influencing polymer degradation with rank..:

Yuan, Weilin ; Hibi, Yusuke ; Tamura, Ryo...
Patterns. 4 (2023) 12 - p. 100846 , 2023

Link: https://doi.org/10.1016/..

11

Towards understanding structure–property relations in mater..:

Vu, Tien-Sinh ; Ha, Minh-Quyet ; Nguyen, Duong-Nguyen...
npj Computational Materials. 9 (2023) 1 - p. , 2023

Link: https://doi.org/10.1038/..

12

Exploring the Quantum Chemical Energy Landscape with GNN-Gu..:

Nakao, Atsuyuki ; Harabuchi, Yu ; Maeda, Satoshi.
Journal of Chemical Theory and Computation. 19 (2023) 3 - p. 713-717 , 2023

Link: https://doi.org/10.1021/..

13

ChemTSv2: Functional molecular design using de novo molecul..:

Ishida, Shoichi ; Aasawat, Tanuj ; Sumita, Masato...
WIREs Computational Molecular Science. 13 (2023) 6 - p. , 2023

Link: https://doi.org/10.1002/..

14

Artificial neural network encoding of molecular wavefunctio..:

Hagai, Masaya ; Sugiyama, Mahito ; Tsuda, Koji.
Digital Discovery. 2 (2023) 3 - p. 634-650 , 2023

Link: https://doi.org/10.1039/..

15

Koopmans' Theorem-Compliant Long-Range Corrected (KTLC) Den..:

Terayama, Kei ; Osaki, Yamato ; Fujita, Takehiro...
Journal of Chemical Theory and Computation. , 2023

Link: https://doi.org/10.1021/..