not tested on any species its a novel compound , its activity is tested in silico but we want to proof this effect in vivo, which dose range do we use first?
There is no one simple answer for this question. In my opinion, the best practice would be by first predicting any major toxicological effects in silico then you may think about identifying the effective and toxic doses in vitro. Then a pilot study can be done on minimal amount of animals to determine the maximum tolerable dose and the minimum effective dose. Finally, you can determine the dose to start with.