Entity Resolution (ER) is the task of detecting different entity profiles that describe the same real-world objects. To facilitate its execution, we have developed JedAI, an open-source system that puts together a series of state-of-the-art ER techniques that have been proposed and examined independently, targeting parts of the ER end-to-end pipeline. This is a unique approach, as no other ER tool brings together so many established techniques. Instead, most ER tools merely convey a few techniques, those primarily developed by their creators. In addition to democratizing ER techniques, JedAI goes beyond the other ER tools by offering a series of unique characteristics: (i) It allows for building and benchmarking millions of ER pipelines. (ii) It is the only ER system that applies seamlessly to any combination of structured and/or semi-structured data. (iii) It constitutes the only ER system that runs seamlessly both on stand-alone computers and clusters of computers-through the parallel implementation of all algorithms in Apache Spark. (iv) It supports two different end-to-end workflows for carrying out batch ER (i.e., budget-agnostic), a schema-agnostic one based on blocks, and a schema-based one relying on similarity joins. (v) It adapts both end-to-end workflows to budget-aware (i.e., progressive) ER. We present in detail all features of JedAI, stressing the core characteristics that enhance its usability, and boost its versatility and effectiveness. We also compare it to the state-of-the-art in the field, qualitatively and quantitatively, demonstrating its state-of-the-art performance over a variety of large-scale datasets from different domains.

No abstract

Although several tools facilitating in silico drug design are available, their results are usually difficult to integrate with publicly available information or require further processing to be fully exploited. The rational design of multi-target ligands (polypharmacology) and the repositioning of known drugs towards unmet therapeutic needs (drug repurposing) have raised increasing attention in drug discovery, although they usually require careful planning of tailored drug design strategies. Computational tools and data-driven approaches can help to reveal novel valuable opportunities in these contexts, as they enable to efficiently mine publicly available chemical, biological, clinical, and disease-related data. Based on these premises, we developed LigAdvisor, a data-driven webserver which integrates information reported in DrugBank, Protein Data Bank, UniProt, Clinical Trials and Therapeutic Target Database into an intuitive platform, to facilitate drug discovery tasks as drug repurposing, polypharmacology, target fishing and profiling. As designed, LigAdvisor enables easy integration of similarity estimation results with clinical data, thereby allowing a more efficient exploitation of information in different drug discovery contexts. Users can also develop customizable drug design tasks on their own molecules, by means of ligand- and target-based search modes, and download their results. LigAdvisor is publicly available at https://ligadvisor.unimore.it/.