Abstract. The three-dimensional-quantitative structure activity relationship (3D-QSAR) studies were performed on a series of direct factor Xa (FXa) inhibitors using AutoGPA-based modeling method in this paper. A training set of 38 molecules and a test set containing 10 molecules were used to build the 3D-QSAR model and validate the derived model, respectively. The developed model with correlation coefficients (r 2 ) of 0.8564 and cross-validated correlation coefficients (q 2 ) of 0.6721 were validated by an external test set of 10 molecules with predicted correlation coefficient (r pred 2 ) of 0.6077. Docking study of FXa inhibitors and FXa active site was performed to check the induced pharmacophore query and comparative molecular field analysis (CoMFA) contour maps using MOE2012.10. It was proved to be coincidence with the interaction information between ligand and FXa active site and was rendered to provide a useful tool to improve FXa inhibitors.

Given the low space usage rate of the traditional automated storage/retrieval system and the long aisle, it is easy for a stacker to take a long time to enter/leave the warehouse. Thus, a new type of double-ended compact storage system is proposed. This paper addresses the scheduling problem for the stacker to execute the single and dual commands mixed tasks in the system where the I/O ports are located at both ends of the aisle, and the power conveyor devices on the rack can meet the requirement of multi-depth storage and generate displacement. An improved shuffled frog leaping algorithm (ISFLA) is developed for the scheduling problem. In order to eliminate the disadvantages of local optimum and slow convergence in the standard shuffled frog leaping algorithm, a set of hybrid perturbation update methods are designed based on a role model learning strategy, and the feasibility of the improved algorithm is verified by a numerical simulation. The experimental results show that the solution quality and the convergence ability of the ISFLA are significantly improved, and it can effectively solve the stacker-scheduling problem in the double-ended compact storage system.

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