Computer-assisted structure elucidation (or CASE) is the technique of using software to generate all possible
molecular structures that are consistent with a particular set of
spectroscopic data.
The subject has been often reviewed.[1][2] Available CASE software include LSD,[3][4] SENECA,[5] COCON,[6][7] CMC-se,[8] and Structure Elucidator.[9]
^Kessler, Pavel; Godejohann, Markus (June 2018). "Identification of tentative marker in Corvina and Primitivo wines with CMC-se". Magnetic Resonance in Chemistry. 56 (6): 480–492.
doi:
10.1002/mrc.4712.
PMID29330878.
S2CID1725448.
Computer-assisted structure elucidation (or CASE) is the technique of using software to generate all possible
molecular structures that are consistent with a particular set of
spectroscopic data.
The subject has been often reviewed.[1][2] Available CASE software include LSD,[3][4] SENECA,[5] COCON,[6][7] CMC-se,[8] and Structure Elucidator.[9]
^Kessler, Pavel; Godejohann, Markus (June 2018). "Identification of tentative marker in Corvina and Primitivo wines with CMC-se". Magnetic Resonance in Chemistry. 56 (6): 480–492.
doi:
10.1002/mrc.4712.
PMID29330878.
S2CID1725448.