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Automated De Novo Drug Design - "Are we nearly there yet?"

07:00 EST 7th February 2019 | BioPortfolio

Summary of "Automated De Novo Drug Design - "Are we nearly there yet?""

Medicinal chemistry and in particular "drug design" have often been perceived as more of an art than science. The many unknowns of human disease and the sheer complexity of chemical space render decision making in medicinal chemistry exceptionally demanding. Computational models can assist the medicinal chemist in this endeavour. Here, we provide an overview of recent examples of automated de novo molecular design, discuss the concepts and computational approaches involved, and dare to predict some of the possibilities and limitations of drug design with machine intelligence.

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This article was published in the following journal.

Name: Angewandte Chemie (International ed. in English)
ISSN: 1521-3773
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Medical and Biotech [MESH] Definitions

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That segment of commercial enterprise devoted to the design, development, and manufacture of chemical products for use in the diagnosis and treatment of disease, disability, or other dysfunction, or to improve function.

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