Term Definition

Chemoinformatics, cheminformatics or chemistry informatics, computational chemistry: A branch of science, which connects the area of chemistry with methods of informatics with the goal of developing and using methods for the computation of properties of chemicals. Suitable algorithms are used to develop the coding for molecules. Induction can be used to create new hypotheses about molecular properties such as solubility, toxicity or degradability.

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Synonyms: computational chemistry, chemistry informatics
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