title: JACOB: a dynamic database for computational chemistry benchmarking.
abstract: JACOB (just a collection of benchmarks) is a database that contains four diverse benchmark studies, which in-turn included 72 data sets, with a total of 122,356 individual results. The database is constructed upon a dynamic web framework that allows users to retrieve data from the database via predefined categories. Additional flexibility is made available via user-defined text-based queries. Requested sets of results are then automatically presented as bar graphs, with parameters of the graphs being controllable via the URL. JACOB is currently available at www.wallerlab.org/jacob.
authors.affiliation: Theoretische Organische Chemie, Organisch-Chemisches Institut der Westfälische Wilhelms Universität Münster, Corrensstraße 40, 48149 Münster, Germany.
authors.forename: Jack
authors.initials: J
authors.lastname: Yang
authors.forename: Mark P
authors.initials: MP
authors.lastname: Waller
mesh_terms: D019985:Benchmarking; D002621:Chemistry / Q000379:methods*; D003196:Computer Graphics; D016208:Databases, Factual; D048088:Informatics / Q000379:methods*; D020407:Internet