In the standard horizontal representation of a linear acene, position 1 corresponds to the uppermost atom of the leftmost ring. Numbering then continues counterclockwise as shown in the figure.

The colors indicate how confident we are in the result. Green means higher confidence, while shades of red mean lower confidence.

Symmetric substitutions allow you to explore the space of molecular structures that preserve the symmetry of the acene backbone. Such compounds are generally easier to synthesize and reduce the size of the chemical search space. You may select one or more substitutions from the list. It is the user's responsibility to ensure that the resulting substitution pattern preserves molecular symmetry; asymmetric structures can be generated if substitutions are applied inconsistently.

We use Particle Swarm Optimization (PSO) to explore the continuous space of Hammett constants. Upon convergence, we select the substituents whose Hammett constants are closest to the PSO solution. Click the structures to iterate through alternative PSO solutions.

As many as the user wishes. After obtaining a solution through the genetic algorithm, the user may select the resulting molecule by clicking on it and mutate one or more of its substituents. In this way, a new alternative is generated via PSO. This process can be repeated as many times as the user desires, enabling the exploration of alternative chemical spaces while maintaining similar properties.

The list provides 1,002 distilled anthracenes from over 2 million compounds screened using artificial neural networks that satisfy strict energetic criteria, including S₁ > 2T₁ and T₂ > S₁, with strong agreement with TD-DFT validation.