Article: Broader Horizons for Computational Chemistry.

Computational chemistry moves beyond its stronghold in drug discovery to more traditional chemical markets.

Although computational drug discovery is now applied by every major pharmaceutical company, the use of computational chemistry by the rest of the chemical industry is a relatively recent phenomenon. However, it is expected to have as profound an impact on chemical process development.

Computational drug discovery first took root in the 1980s with the creation of the first commercial molecular modeling software companies. Early products were largely directed toward drug discovery applications with particular attention paid to the structure of ...

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