We need to talk about Kekulization, Aromaticity and SMILES Open Babel project overview So I have an SD File... What do I do next? Universal Smiles: Finally a canonical SMILES string What's New and Cooking in Open Babel 2.3.2 Making the most of a QM calculation Large-scale computational design and selection of polymers for solar cells Improving the quality of chemical databases with community-developed tools (and vice versa) De novo design of molecular wires with optimal properties for solar energy conversion Density functional theory calculations on Ruthenium polypyridyl complexes incorporating 1,2,4-triazole Why multiple scoring functions can improve docking performance - Testing hypotheses for rescoring success The Blue Obelisk community Classification of Enzyme Reaction Mechanisms Digging deep for GOLD: How buriedness may be used to discriminate between actives and inactives in docking MACiE - A Database for Classification of Enzyme Reaction Mechanisms 
