rareylab/RIMACS
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RIMACS 1.1 ---------- RIMACS is a C++ library for efficient computation of the maximum common substructure problem. The algorithm employs a recursive backtracking scheme inspired by subgraph algorithms, mapping nodes of two graphs directly onto each other. It is designed for chemical graphs with limited node degrees. It is developed at the Universitaet Hamburg, ZBH - Center for Bioinformatics by Robert Schmidt and Matthias Rarey. The library is distributed under BSD New license, see the file LICENSE and [BSD New] (https://opensource.org/licenses/BSD-3-Clause). See INSTALL or documentation for detailed installation instructions. The detailed documentation can be found in folder `documentation` as HTML and PDF document. Please Cite: Schmidt, R.; Krull, F.; Heinzke, A. L.; Rarey, M.; Disconnected Maximum Common Substructures under Constraints. J. Chem. Inf. Model. 2021, 61, 167−178 https://dx.doi.org/10.1021/acs.jcim.0c00741