"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.