Computational methods in drug discovery

Article English OPEN
Sumudu P. Leelananda; Steffen Lindert;
(2016)
  • Publisher: Beilstein-Institut
  • Journal: Beilstein Journal of Organic Chemistry,volume 12,pages2,694-2,718 (issn: 1860-5397, eissn: 1860-5397)
  • Publisher copyright policies & self-archiving
  • Related identifiers: pmc: PMC5238551, doi: 10.3762/bjoc.12.267
  • Subject: Chemistry | scoring | LBDD | lead optimization | QD241-441 | QSAR | high-throughput screening | machine learning | computer-aided drug design | docking | Q | free energy | Organic Chemistry | ADME | Review | Science | target flexibility | SBDD | pharmacophore
    acm: ComputingMethodologies_PATTERNRECOGNITION

The process for drug discovery and development is challenging, time consuming and expensive. Computer-aided drug discovery (CADD) tools can act as a virtual shortcut, assisting in the expedition of this long process and potentially reducing the cost of research and deve... View more
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