P-550 APPLICATIONS OF CAST/CNMR TO NMR ASSIGNMENTS AND STRUCTURAL REVISION OF NATURAL PRODUCTS

Hiroyuki Koshino , Shunya Takahashi , Hiroko Satoh
International Symposium on the Chemistry of Natural Products 2006

2006
CAST/CNMR: accurate 13C-NMR chemical shift prediction system

Hiroyuki Koshino , Tadashi Nakata , Hiroko Satoh
Symposium on Chemical Information and Computer Sciences Symposium on Structure-Activity Relationships 24th Symposium on Chemical Information and Computer Sciences

2001
Reaction Classification Study Using Reaction Similarity (ReacSim) Vector for Recognition of Similarities in Chemical Reactions

Kimito Funatsu , Tadashi Nakata , Hiroko Satoh
Symposium on Chemical Information and Computer Sciences Symposium on Structure-Activity Relationships 24th Symposium on Chemical Information and Computer Sciences

2001
Application of a side-reaction evaluation system for synthetic routes designed by AIPHOS

Kimito Funatsu , Hiroko Satoh , Yukiharu Tsukamoto
Symposium on Chemical Information and Computer Sciences Symposium on Structure-Activity Relationships 24th Symposium on Chemical Information and Computer Sciences

2001
Knowledge Discovery on Chemical Reactivity from Experimental Reaction Information

Hiroko Satoh , Tadashi Nakata
discovery science 470 -477

2
2003
12
1999
Novel canonical coding method for representation of three-dimensional structures

Hiroko Satoh , Hiroyuki Koshino , Kimito Funatsu , Tadashi Nakata
Journal of Chemical Information and Computer Sciences 40 ( 3) 622 -630

19
2000
Exploration of Carbon Allotropes with Four-membered Ring Structures on Quantum Chemical Potential Energy Surfaces.

Koichi Ohno , Hiroko Satoh , Takeaki Iwamoto , Hiroaki Tokoyama
Journal of Computational Chemistry 40 ( 1) 14 -28

3
2019
High performance global exploration of isomers and isomerization channels on quantum chemical potential energy surface of H5C2NO2

Koichi Ohno , Naoki Kishimoto , Takeaki Iwamoto , Hiroko Satoh
Journal of Computational Chemistry 42 ( 3) 192 -204

2021
Global exploration of isomers and isomerization channels on the quantum chemical potential energy surface of H3CNO3

Koichi Ohno , Naoki Kishimoto , Takeaki Iwamoto , Hiroko Satoh
Journal of Computational Chemistry 38 ( 10) 669 -687

12
2017
CAST/CNMR: highly accurate 13C NMR chemical shift prediction system considering stereochemistry

Hiroko Satoh , Hiroyuki Koshino , Jun Uzawa , Tadashi Nakata
Tetrahedron 59 ( 25) 4539 -4547

21
2003
Low‐Barrier Pathway for endo‐Cleavage Induced Anomerization of Pyranosides with N‐Benzyl‐2,3‐trans‐oxazolidinone Groups

Hiroko Satoh , Jürg Hutter , Hans Peter Lüthi , Shino Manabe
European Journal of Organic Chemistry 2009 ( 8) 1127 -1131

20
2009
Classification and Prediction of Reagents' Roles by FRAU System with Self-Organizing Neural Network Model

Hiroko Satoh , Kimito Funatsu , Keiko Takano , Tadashi Nakata
Bulletin of the Chemical Society of Japan 73 ( 9) 1955 -1965

4
2000
Potential Energy Surface-Based Automatic Deduction of Conformational Transition Networks and Its Application on Quantum Mechanical Landscapes of d-Glucose Conformers.

Hiroko Satoh , Tomohiro Oda , Kumiyo Nakakoji , Takeaki Uno
Journal of Chemical Theory and Computation 12 ( 11) 5293 -5308

12
2016
Endocyclic cleavage in glycosides with 2,3-trans cyclic protecting groups.

Hans P. Lüthi , Teodoro Laino , Jürg Hutter , Hiroko Satoh
Journal of the American Chemical Society 133 ( 14) 5610 -5619

48
2011
Prism-C2n carbon dimer, trimer, and nano-sheets: A quantum chemical study

Koichi Ohno , Hiroko Satoh , Takeaki Iwamoto
Chemical Physics Letters 633 120 -125

12
2015
Wavy carbon: A new series of carbon structures explored by quantum chemical calculations

Koichi Ohno , Hiroko Satoh , Takeaki Iwamoto , Hiroaki Tokoyama
Chemical Physics Letters 639 178 -182

10
2015
Design of chemical glycosyl donors: does changing ring conformation influence selectivity/reactivity?

Hiroko Satoh , Shino Manabe
Chemical Society Reviews 42 ( 10) 4297 -4309

48
2013
SOPHIA, A KNOWLEDGE BASE-GUIDED REACTION PREDICTION SYSTEM-UTILIZATION OF A KNOWLEDGE BASE DERIVED FROM A REACTION DATABASE

Hiroko Satoh , Kimito Funatsu
Journal of Chemical Information and Computer Sciences 35 ( 1) 34 -44

136
1995