Takayoshi Yoshimura

Keio University — Japan

Materials Science · Physical Sciences

8h-index164citations15works1.82yr avg
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Research Topics

Machine Learning in Materials Science(7), Asymmetric Hydrogenation and Catalysis(3), Organometallic Complex Synthesis and Catalysis(2), Computational Drug Discovery Methods(2), Carbon dioxide utilization in catalysis(2)

Publications15 total

CopDDB: a descriptor database for copolymers and its applications to machine learning
Digital Discovery·2024· 6 citedOpen Access
CopDDB: a descriptor database for copolymers and its applications to machine learning
2024Open Access
Author response for "CopDDB: a descriptor database for copolymers and its applications to machine learning"
2024
CopDDB: a descriptor database for copolymers and its applications to machine learning
2024· 1 citedOpen Access
CopDDB: a descriptor database for copolymers and its application to the machine learning
2024· 2 citedOpen Access
Insights into the Luminescence Quantum Yields of Cyclometalated Iridium(III) Complexes: A Density Functional Theory and Machine Learning Approach
The Journal of Physical Chemistry A·2023· 9 cited
Extrapolation performance improvement by quantum chemical calculations for machine-learning-based predictions of flow-synthesized binary copolymers
Digital Discovery·2023· 11 citedOpen Access
CCDC 2159853: Experimental Crystal Structure Determination
The Cambridge Structural Database·2022Open Access
Hydroxycarbonylation of Alkenes with Formic Acid Catalyzed by a Rhodium(III) Hydride Diiodide Complex Bearing a Bidentate Phosphine Ligand
Organometallics·2022· 11 cited
Stereoselectivity of the Biginelli Reaction Catalyzed by Chiral Primary Amine: A Computational Study
Heterocycles·2021· 1 citedOpen Access
Artificial Force-Induced Reaction Method for Systematic Elucidation of Mechanism and Selectivity in Organometallic Reactions
Topics in organometallic chemistry·2020· 10 cited
Catalytic Regio- and Enantioselective Proton Migration from Skipped Enynes to Allenes
Chem·2019· 56 citedOpen Access
Characterization of the one-electron oxidized Cu(II)-salen complexes with a side chain aromatic ring: the effect of the indole ring on the Cu(II)-phenoxyl radical species
JBIC Journal of Biological Inorganic Chemistry·2017· 18 cited
Characterization of Group 10‐Metal‐ <i>p</i> ‐Substituted Phenoxyl Radical Complexes with Schiff Base Ligands.
ChemistrySelect·2017· 10 cited
Exploring the full catalytic cycle of rhodium(<scp>i</scp>)–BINAP-catalysed isomerisation of allylic amines: a graph theory approach for path optimisation
Chemical Science·2017· 29 citedOpen Access

Frequent Co-authors

Miho Hatanaka(12), Shunto Oikawa(6), Tetsunori Sugawara(6), Takamitsu Matsubara(6), Yu‐ya Ohnishi(6), Hiroharu Ajiro(6), Mikiya Fujii(6), Hiromoto Kato(6), Taichi Inagaki(6), Shigehito Asano(5), Seiji Mori(3), Tomoyuki Miyao(3), T. Miyao(3), Satoshi Maeda(2), Hiromi Oshita(2), Fumito Tani(2), Yuichi Shimazaki(2), Masaki Okada(2), Katsuhiko Takeuchi(2), Kazuhiro Matsumoto(2)