Chemistry Reference
In-Depth Information
QC
quality control
RCS
reduced complexity screening
RECAP
retrosynthetic combinatorial analysis procedure
rotB
rotatable bonds
SAR
structure-activity relationship
SMILES
simplified molecular input line entry specification
TPSA
topological polar surface area
uHTS
ultra-high-throughput screening
VS
virtual screening
3.7 Acknowledgements
The authors wish to thank John Barker, Oliver Barker and Thomas Hesterkamp for their
contributions to the fragment-based drug discovery initiative at Evotec and for useful
discussions.
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