TY  - JOUR
PY  - 2013//
TI  - Predicting the activity and toxicity of new psychoactive substances: A pharmaceutical industry perspective
JO  - Drug testing and analysis
A1  - Leach, Andrew G.
SP  - 739
EP  - 745
VL  - 6
IS  - 7-8
N2  - Predicting the effect that new compounds might have when administered to human beings is a common desire shared by researchers in the pharmaceutical industry and those interested in psychoactive compounds (illicit or otherwise). The experience of the pharmaceutical industry is that making such predictions at a usefully accurate level is not only difficult but that even when billions of dollars are spent to ensure that only compounds likely to have a desired effect without unacceptable side-effects are dosed to humans in clinical trials, they fail in more than 90% of cases. A range of experimental and computational techniques is used and they are placed in their context in this paper. The particular roles played by computational techniques and their limitations are highlighted; these techniques are used primarily to reduce the number of experiments that must be performed but cannot replace those experiments. Copyright © 2013 John Wiley & Sons, Ltd.<p />  <p>Language: en</p>
LA  - en
SN  - 1942-7603
UR  - http://dx.doi.org/10.1002/dta.1593
ID  - ref1
ER  -