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Version 2023 of software on the Spectrus Platform is here! Read about new tools and improvements in analytical data handling.
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Molecular Property Prediction
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ChemSketch Freeware
A strategy to utilize molecular fragments has been developed and optimized based on specific challenging examples. Experience gained by solving…
The elucidated structure of asperjinone, a natural product isolated from thermophilic Aspergillus terreus, was revised using the expert system Structure…
In this work we suggest a new approach that we term Fuzzy Structure Generation. This allows the solution of structural…
The involvement of several scientists in the development of Computer-Aided Structure Elucidation (CASE) methods has resulted into the development of…
A software program for the automated structure elucidation of complex organic molecules using an expert system and utilizing 2D homo-…
Characteristic features of a new expert system StrucEluc are described. We review here the results of challenging this system with…
This paper considers the strategy of the StrucEluc expert system application for structure elucidation of new natural products when there…
Computer-assisted structure elucidation (CASE) is composed of two steps: (a) generation of all possible structural isomers for a given molecular…
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