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Genetic Algorithm (GA): A heuristic method modelled on the natural evolution process, used to find optimal solutions over a large search space. The individuals in the population, represented by strings (a sequence of 'genes'), can mutate, crossover and reproduce over successive generations in order to reach an optimal solution.

Mutation: A GA process whereby a point in a string is selected and its value changed by a random amount.

Crossover: A GA process in which the parts of data in two strings are exchanged to produce two children, each containing some 'genetic' material from both parents.

Molar Refractivity: Represents steric bulk and dispersion interactions due to substituents in a molecule.