E-LIB Suche - Ergebnisse für: Yasuo, Nobuaki

1

Prediction of CO2 absorbing performance of amine aqueous so..:

Fujii, Tatsuya ; Sako, Masami ; Ishihama, Keisuke...
Gas Science and Engineering. , 2024

2

Tuning Bayesian optimization for materials synthesis: simul..:

Xu, Han ; Nakayama, Ryo ; Kimura, Takefumi...
Science and Technology of Advanced Materials: Methods. 3 (2023) 1 - p. , 2023

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

3

Gargoyles: An Open Source Graph-Based Molecular Optimizatio..:

Erikawa, Daiki ; Yasuo, Nobuaki ; Suzuki, Takamasa..
ACS Omega. 8 (2023) 40 - p. 37431-37441 , 2023

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

4

Predicting Chemical Reaction Product by Graph Transformer:

, In: 2023 Congress in Computer Science, Computer Engineering, & Applied Computing (CSCE),

Makino, Shunya ; Yasuo, Nobuaki ; Sekijima, Masakazu - p. 2147-2152 , 2023

Link: https://doi.org/10.1109/..

5

Discovery of a Hidden Trypanosoma cruzi Spermidine Synthase..:

Yoshino, Ryunosuke ; Yasuo, Nobuaki ; Hagiwara, Yohsuke...
ACS Omega. 8 (2023) 29 - p. 25850-25860 , 2023

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

6

Toxicokinetic analysis of the anticoagulant rodenticides wa..:

Takeda, Kazuki ; Manago, Kosuke ; Morita, Ayuko...
Ecotoxicology and Environmental Safety. 243 (2022) - p. 113971 , 2022

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

7

Statistical potentials for RNA-protein interactions optimiz..:

Kimura, Takayuki ; Yasuo, Nobuaki ; Sekijima, Masakazu.
Journal of Molecular Graphics and Modelling. 110 (2022) - p. 108044 , 2022

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

8

An Improved Model for Predicting Compound Retrosynthesizabi..:

, In: 2022 IEEE 22nd International Conference on Bioinformatics and Bioengineering (BIBE),

Ozawa, Mami ; Yasuo, Nobuaki ; Sekijima, Masakazu - p. 210-216 , 2022

Link: https://doi.org/10.1109/..

9

Screening for Inhibitors of Main Protease in SARS-CoV-2: In..:

Yamamoto, Kazuki Z. ; Yasuo, Nobuaki ; Sekijima, Masakazu
Journal of Chemical Information and Modeling. 62 (2022) 2 - p. 350-358 , 2022

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

10

Tuning of Bayesian optimization for materials synthesis: si..:

Nakayama, Ryo ; Shimizu, Ryota ; Haga, Taishi...
Science and Technology of Advanced Materials: Methods. 2 (2022) 1 - p. 119-128 , 2022

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

11

Computer aided drug discovery review for infectious disease..:

Yasuo, Nobuaki ; Ishida, Takashi ; Sekijima, Masakazu
Parasitology International. 83 (2021) - p. 102366 , 2021

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

12

Effect of charged mutation on aggregation of a pentapeptide..:

Prabakaran, R. ; Rawat, Puneet ; Yasuo, Nobuaki...
Proteins: Structure, Function, and Bioinformatics. 90 (2021) 2 - p. 405-417 , 2021

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

13

Leave-One-Element-Out Cross-Validation for Band Gap Predict..:

, In: Advances in Parallel & Distributed Processing, and Applications; Transactions on Computational Science and Computational Intelligence,

Igarashi, Hiroki ; Yasuo, Nobuaki ; Sekijima, Masakazu - p. 759-768 , 2021

Link: https://doi.org/10.1007/..

14

MERMAID: an open source automated hit-to-lead method based ..:

Erikawa, Daiki ; Yasuo, Nobuaki ; Sekijima, Masakazu
Journal of Cheminformatics. 13 (2021) 1 - p. , 2021

Link: https://doi.org/10.1186/..

15

Identification of key interactions between SARS-CoV-2 main ..:

Yoshino, Ryunosuke ; Yasuo, Nobuaki ; Sekijima, Masakazu
Scientific Reports. 10 (2020) 1 - p. , 2020

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