A critical analysis of virtual screening results published between 2007 and 2011 was performed. The activity of reported hit compounds from over 400 studies was compared to their hit identification criteria. Hit rates and ligand efficiencies were calculated to assist in these analyses and the results were compared with factors such as the size of the virtual library and the number of compounds tested. A series of promiscuity, drug-like, and ADMET filters were applied to the reported hits to assess the quality of compounds reported and a careful analysis of a subset of the studies which presented hit optimization was performed. This data allowed us to make several practical recommendations with respect to selection of compounds for experimental testing, defining hit identification criteria, and general virtual screening hit criteria to allow for realistic hit optimization. A key recommendation is the use of size-targeted ligand efficiency values as hit identification criteria.

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SUMMARY An optimal controller has been designed for automatic generation control (AGC) of two‐area restructured power system. The performance of the controller has been studied for two cases: (a) when the tie line connecting the two areas consists of parallel EHVAC and HVDC lines and (b) when HVDC link is absent and only ac tie line acts as interconnection. The comparison has been done for the two cases in terms of time taken to damp out oscillations of frequency in each area, tie‐line power exchange between the two areas and power generated by each generator when there is change in load. The simulation results indicate that control performance improves when HVDC link is connected in parallel with EHVAC tie line and output of the dc block is considered as additional state for the optimal controller. Detailed simulation studies were carried out for load demand by DISCOs as per cotracted condition as well as for bilateral contract violation condition. Optimal controller gives better dynamic response compared to conventional PI controller. AGC dynamic response is further improved by using combined optimal fuzzy controller. Particle swarm optimization (PSO) technique has been used for tuning the fuzzy controller. The results of the two area thermal–thermal system indicate better control performance in terms of peak overshoot and settling time by PSO tuned combined optimal fuzzy controller as compared to the un‐tuned controller. Copyright © 2011 John Wiley & Sons, Ltd.

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