Kindly give the implementation of in-silico methods for the various biological activities. Most of the chemical compounds showed noteworthy activity though in-silico (computerised progammes) screening and were found to be inactive in an actual laboratory workout. In some cases we got positive results also. Expecting your views regarding the same.
It is true with your experiments. Thats is why in silico analysis is called prediction methods. Never the less if you do thorough in silico analysis the chances of laboratory failures can be reduced. Like for compounds with biological activity, you can perform docking and conclude the possible lead molecule and the chances of failure is more since you take more compounds for lab and also studied only docking.
If you perform dynamic simulations, then the number of compounds will reduce as dynamics gives more appropriate results than docking, if you still further study compounds ADMET properties then also the accuracy of finding lead will increase.