1. The aggregate state of chemical compounds and elements, and the corresponding thermochemical data is not adjusted when temperature is changed. For example, thermochemical data of water, which by default is available in a liquid state at 298.15K, is not adjusted when temperature is changed. ΔHf 0 , S 0 are assumed to be independent of temperature, which is not the case in reality. 2. The algorithm does not analyze if a designed reac on is kine cally feasible, i.e., if in the real world, the selected reactants give the specific products, even when ΔG of such a reac on nega ve. Compa bility of compounds and elements with LEDs is modelled considering published data (Table ). In most cases, absorp on of a photon by a molecule triggers cleavage of a chemical bond and forma on of a radical intermediate. For example, ethylene is converted into acetylene or C2H3 • . The algorithm does not model the reac on profile and cannot verify if there is a path of transforming reactants and tenta ve intermediates of photochemical reac ons into the products. 3. The algorithm does not model reac ons in a solu on. This means, for example, that ∆H 0 , ∆S 0 and ∆G of a neutraliza on reac on depend on the structure of acid and base that are used, and it cannot be simplified to the net ionic equa on H + + OH -= H2O as in aqueous solu on. This aspect might lead to some surprising findings. 4. The algorithm assumes that absolute standard entropy of compounds and elements in the ground state and the electronically excited state are the same.