“…Therefore, CASE systems have a high relevance by integrating all existing computational methods, for example, structure generation by structure assembly [361][362][363][364] and reduction [365], stochastic structure generators [366], combinatorial structure generation with restraints [367,368], convergent structure generation [369,370], fuzzy structure generation [371], chemical graph generators [42], logic engines [372], combinatorial brute force [373][374][375][376], databases of 13 C NMR chemical shifts and fragments [377,378], genetic algorithms [379,380], simulated annealing [381], evolutionary algorithms [382], expert systems [44,383], and expert systems with Density Functional Theory (DFT) [43][44][45]. In Figure 7, the main achievements of CASE systems are highlighted [39][40][41]43,384,385]. In general, CASE systems produce a set of possible structures that satisfy the experimental spectroscopic data and the CASE knowledge.…”