| Abstract
| - We developed a software tool to design drug-like molecules, the “Molecule Evoluator”, which we introduceand describe here. An atom-based evolutionary approach was used allowing both several types of mutationand crossover to occur. The novelty, we claim, is the unprecedented interactive evolution, in which the useracts as a fitness function. This brings a human being's creativity, implicit knowledge, and imagination intothe design process, next to the more standard chemical rules. Proof-of-concept was demonstrated in a numberof ways, both computationally and in the lab. Thus, we synthesized a number of compounds designed withthe aid of the Molecule Evoluator. One of these is described here, a new chemical entity with activity onα-adrenergic receptors.
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