TY - RPRT TI - The Chemistry Development Kit (CDK): an open-source Java library for Chemo- and Bioinformatics. AU - Christoph Steinbeck AU - Yongquan Han AU - Stefan Kuhn AU - Oliver Horlacher AU - Edgar Luttmann AU - Egon Willighagen DO - 10.1021/ci025584y UR - https://pubmed.ncbi.nlm.nih.gov/12653513/ ID - 12653513 ER -