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G-RMSD: Root Mean Square Deviation Based Method for Three-Dimensional Molecular Similarity Determination

Bulletin of the Chemical Society of Japan, 2021, Vol.94 (2), p.655-665

2021

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Quantum chemical exploration of polymerized forms of polycyclic aromatic hydrocarbons: D6h tetramer and polymer of coronene

Chemical physics letters, 2020-05, Vol.747, p.137366, Article 137366

2020

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An Efficient Algorithm for Enumerating Chordless Cycles and Chordless Paths

Discovery Science, p.313-324

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High performance global exploration of isomers and isomerization channels on quantum chemical potential energy surface of H5C2NO2

Journal of computational chemistry, 2021-01, Vol.42 (3), p.192-204

2021

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Quantum chemical exploration of dimeric forms of polycyclic aromatic hydrocarbons, naphthalene, perylene, and coronene

Chemical physics letters, 2019-02, Vol.716, p.147-154

2019

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The Rise of Catalyst Informatics: Towards Catalyst Genomics

ChemCatChem, 2019-02, Vol.11 (4), p.1146-1152

2019

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Can AI Help Improve Water Quality? Towards the Prediction of Degradation of Micropollutants in Wastewater

Chimia, 2023-02, Vol.77 (1/2), p.48

2023

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Global exploration of isomers and isomerization channels on the quantum chemical potential energy surface of H3CNO3

Journal of computational chemistry, 2017-04, Vol.38 (10), p.669-687

2017

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A Prism Carbon Molecule C20

Chemistry letters, 2015-05, Vol.44 (5), p.712-714

2015

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Wavy carbon: A new series of carbon structures explored by quantum chemical calculations

Chemical physics letters, 2015-10, Vol.639, p.178-182

2015

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Theoretical Investigation of Solvent Effects on Glycosylation Reactions: Stereoselectivity Controlled by Preferential Conformations of the Intermediate Oxacarbenium-Counterion Complex

Journal of chemical theory and computation, 2010-06, Vol.6 (6), p.1783-1797

2010

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Substituent effects in endocyclic cleavage–recyclization anomerization reaction of pyranosides

Tetrahedron, 2011-12, Vol.67 (51), p.9966-9974

2011

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Design of chemical glycosyl donors: does changing ring conformation influence selectivity/reactivity?

Chemical Society reviews, 2013-05, Vol.42 (10), p.4297-4309

2013

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Significant Substituent Effect on the Anomerization of Pyranosides: Mechanism of Anomerization and Synthesis of a 1,2-cis Glucosamine Oligomer from the 1,2-trans Anomer

Chemistry : a European journal, 2014-01, Vol.20 (1), p.124-132

2014

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Miglitol, an Anti-diabetic Drug, Inhibits Oxidative Stress–Induced Apoptosis and Mitochondrial ROS Over-Production in Endothelial Cells by Enhancement of AMP-Activated Protein Kinase

Journal of Pharmacological Sciences, 2012, Vol.120(2), pp.121-128

2012

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Computational Chemistry on Chemical Glycosylations

Trends in Glycoscience and Glycotechnology, 2014, Vol.26(147), pp.11-27

2014

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A microarray analysis of urinary microRNAs in renal diseases

Clinical and experimental nephrology, 2014-10, Vol.18 (5), p.711-717

2014

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Chemical Structure Elucidation from 13C NMR Chemical Shifts: Efficient Data Processing Using Bipartite Matching and Maximal Clique Algorithms

Journal of chemical information and modeling, 2014-04, Vol.54 (4), p.1027-1035

2014

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Exact solution for minimization of root mean square deviation with G-RMSD to determine molecular similarity

Bulletin of the Chemical Society of Japan, 2024-04, Vol.97 (4)

2024

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Handling of Highly Symmetric Molecules for Chemical Structure Elucidation in a CAST/CNMR System

Journal of Computer Chemistry, Japan, 2016, Vol.14(6), pp.193-195

2016

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Quantum chemical exploration of new π-electron systems: Capsule-formed dimers of polycyclic aromatic hydrocarbons

Chemical physics letters, 2019-06, Vol.725, p.59-65

2019

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Transplanted Mesenchymal Stem Cells Are Effective for Skin Regeneration in Acute Cutaneous Wounds

Cell transplantation, 2004-05, Vol.13 (4), p.405-412

2004

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Handling of Highly Symmetric Molecules for Chemical Structure Elucidation in a CAST/CNMR System

Journal of computer chemistry, Japan, 2015-01, Vol.14 (6), p.193-193

2015

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High performance global exploration of isomers and isomerization channels on quantum chemical potential energy surface of H 5 C 2 NO 2

Journal of computational chemistry, 2021-01, Vol.42 (3), p.192-204

2021

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Exploration of Carbon Allotropes with Four‐membered Ring Structures on Quantum Chemical Potential Energy Surfaces

Journal of computational chemistry, 2019-01, Vol.40 (1), p.14-28

2019

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G-RMSD: Root Mean Square Deviation Based Method for Three-Dimensional Molecular Similarity Determination

Quantum chemical exploration of polymerized forms of polycyclic aromatic hydrocarbons: D6h tetramer and polymer of coronene

An Efficient Algorithm for Enumerating Chordless Cycles and Chordless Paths

High performance global exploration of isomers and isomerization channels on quantum chemical potential energy surface of H5C2NO2

Quantum chemical exploration of dimeric forms of polycyclic aromatic hydrocarbons, naphthalene, perylene, and coronene

The Rise of Catalyst Informatics: Towards Catalyst Genomics

Can AI Help Improve Water Quality? Towards the Prediction of Degradation of Micropollutants in Wastewater

Global exploration of isomers and isomerization channels on the quantum chemical potential energy surface of H3CNO3

A Prism Carbon Molecule C20

Wavy carbon: A new series of carbon structures explored by quantum chemical calculations

Theoretical Investigation of Solvent Effects on Glycosylation Reactions: Stereoselectivity Controlled by Preferential Conformations of the Intermediate Oxacarbenium-Counterion Complex

Substituent effects in endocyclic cleavage–recyclization anomerization reaction of pyranosides

Design of chemical glycosyl donors: does changing ring conformation influence selectivity/reactivity?

Significant Substituent Effect on the Anomerization of Pyranosides: Mechanism of Anomerization and Synthesis of a 1,2-cis Glucosamine Oligomer from the 1,2-trans Anomer

Miglitol, an Anti-diabetic Drug, Inhibits Oxidative Stress–Induced Apoptosis and Mitochondrial ROS Over-Production in Endothelial Cells by Enhancement of AMP-Activated Protein Kinase

Computational Chemistry on Chemical Glycosylations

A microarray analysis of urinary microRNAs in renal diseases

Chemical Structure Elucidation from 13C NMR Chemical Shifts: Efficient Data Processing Using Bipartite Matching and Maximal Clique Algorithms

Exact solution for minimization of root mean square deviation with G-RMSD to determine molecular similarity

Handling of Highly Symmetric Molecules for Chemical Structure Elucidation in a CAST/CNMR System

Quantum chemical exploration of new π-electron systems: Capsule-formed dimers of polycyclic aromatic hydrocarbons

Transplanted Mesenchymal Stem Cells Are Effective for Skin Regeneration in Acute Cutaneous Wounds

Handling of Highly Symmetric Molecules for Chemical Structure Elucidation in a CAST/CNMR System

High performance global exploration of isomers and isomerization channels on quantum chemical potential energy surface of H 5 C 2 NO 2

Exploration of Carbon Allotropes with Four‐membered Ring Structures on Quantum Chemical Potential Energy Surfaces

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