Journal
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
Volume 58, Issue 32, Pages 10792-10803Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/anie.201814681
Keywords
artificial intelligence; drug discovery; machine learning; medicinal chemistry; synthesis
Categories
Funding
- Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung [205321_182176] Funding Source: Medline
Ask authors/readers for more resources
Medicinal chemistry and, in particular, drug design have often been perceived as more of an art than a 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. Provided here is an overview of recent examples of automated de novo molecular design, a discussion of the concepts and computational approaches involved, and the daring prediction of some of the possibilities and limitations of drug design using machine intelligence.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available