Decades of research on the 0-1 knapsack problem led to very efficient algorithms that are able to quickly solve large problem instances to optimality. This prompted researchers to also investigate whether relatively small problem instances exist that are hard for existing solvers and investigate which features characterize their hardness. Previously the authors proposed a new class of hard 0-1 knapsack problem instances and demonstrated that the properties of so-called inclusionwise maximal solutions (IMSs) can be important hardness indicators for this class. In the current paper, we formulate several new computationally challenging problems related to the IMSs of arbitrary 0-1 knapsack problem instances. Based on generalizations of previous work and new structural results about IMSs, we formulate polynomial and pseudopolynomial time algorithms for solving these problems. From this we derive a set of 14 computationally expensive features, which we calculate for two large datasets on a supercomputer in approximately 540 CPU-hours. We show that the proposed features contain important information related to the empirical hardness of a problem instance that was missing in earlier features from the literature by training machine learning models that can accurately predict the empirical hardness of a wide variety of 0-1 knapsack problem instances. Using the instance space analysis methodology, we also show that hard 0-1 knapsack problem instances are clustered together around a relatively dense region of the instance space and several features behave differently in the easy and hard parts of the instance space.