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Artificial Intelligent Systems for Drug Discovery and Molecular Design

"The software generates drug-like compounds by mimicking chemical synthesis pathways, and smart algorithms – often machine-learning techniques from the field of artificial intelligence – scrutinise, rank and select the most promising candidates."

Schneider, G. (2013) High time to design. Sci. Technol. 8, 246-247.

Tight integration of computer-assisted molecular design with practical realization by medicinal chemistry will be essential for finding next-generation drugs that are optimized for multiple pharmaceutically relevant properties. The molecular discovery process requires consequent transdisciplinary thinking.

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Tue Jan 17 00:44:53 CET 2017
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