SuperPred: update on drug classification and target prediction
Charité - Universitätsmedizin Berlin · Heidelberg University · +2 more institutions
Abstract
The SuperPred web server connects chemical similarity of drug-like compounds with molecular targets and the therapeutic approach based on the similar property principle. Since the first release of this server, the number of known compound-target interactions has increased from 7000 to 665,000, which allows not only a better prediction quality but also the estimation of a confidence. Apart from the addition of quantitative binding data and the statistical consideration of the similarity distribution in all drug classes, new approaches were implemented to improve the target prediction. The 3D similarity as well as the occurrence of fragments and the concordance of physico-chemical properties is also taken into…
Citation impact
- FWCI
- 14.68
- Percentile
- 100%
- References
- 36
Authors
8- JNJanette NickelCorresponding
Charité - Universitätsmedizin Berlin
- BGBjörn-Oliver Gohlke
Heidelberg University, German Cancer Research Center, Charité - Universitätsmedizin Berlin
- JEJevgeni Erehman
Heidelberg University, Charité - Universitätsmedizin Berlin, German Cancer Research Center
- PBPriyanka Banerjee
Center for Systems Biology Dresden, Charité - Universitätsmedizin Berlin
- WWWen Wei Rong
Charité - Universitätsmedizin Berlin
Topics & keywords
- Similarity (geometry)
- Concordance
- Web server
- Set (abstract data type)
- Data mining
- Chemical similarity
- Computer science
- Data set
- Good health and well-being