Journal of Computer Aided Chemistry
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Published By "The Division Of Chemical Information And Computer Sciences, Chemical Society Of Japan"

1345-8647
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scholarly journals A method to search the most stable reaction pathway and its application to the Pinner Pyrimidine Synthesis reaction

2021 ◽  
Vol 22 (0) ◽  
pp. 1-7
Author(s):  
Eri Maeyama ◽  
Toru Yamaguchi ◽  
Michinori Sumimoto ◽  
Kenji Hori
Keyword(s):  
Reaction Pathway ◽  
Synthesis Reaction ◽  
Pyrimidine Synthesis

scholarly journals Soft-Sensor Modeling for Semi-Batch Chemical Process Using Limited Number of Sampling

2019 ◽  
Vol 20 (0) ◽  
pp. 119-132
Author(s):  
Shinichiro Aoshima ◽  
Tomoyuki Miyao ◽  
Kimito Funatsu
Keyword(s):  
Chemical Process ◽  
Soft Sensor ◽  
Sensor Modeling

scholarly journals [Special Issue for Honor Award dedicating to Prof Kimito Funatsu]Chemoinformatics Approach for Estimating Recovery Rates of Pesticides in Fruits and Vegetables

2019 ◽  
Vol 20 (0) ◽  
pp. 92-103
Author(s):  
Takeshi Serino ◽  
Yoshizumi Takigawa ◽  
Sadao Nakamura ◽  
Ming Huang ◽  
Naoaki Ono ◽  
...  
Keyword(s):  
Fruits And Vegetables ◽  
Special Issue ◽  
Recovery Rates

scholarly journals A Radical Correction for Inter Fragment Interaction Energy (IFIE) between Fragments Sharing Bond Detached Atom (BDA)

2019 ◽  
Vol 20 (0) ◽  
pp. 1-6
Author(s):  
Tatsuya Nakano ◽  
Yuji Mochidzuki ◽  
Kaori Fukuzawa ◽  
Yoshio Okiyama ◽  
Chiduru Watanabe
Keyword(s):  
Interaction Energy ◽  
Fragment Interaction
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