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Well-known and most commonly used clustering methods in cheminformatics ... 8 centroids (cluster representative element) corresponded to the 8 activity classes ...
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Our goal is to make sure that it is not because our R&D informatics platforms ... Easy-to-use and Fully Integrated Plotting & Analytics ...
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Calculations can be performed using the graphical user interface of MarvinSketch ... Calculator Plugins are modules of ChemAxon's Marvin and JChem cheminformatics ...
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Friedel-Crafts acylation occurs only if the aromatic system is at least as ... The Friedel-Crafts acylation: excluding compounds giving side reactions, ...
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Molecular Descriptor similarity search with descriptor coloring. Substructure hit alignment and coloring, inverse hit list. Chemical Terms filter. Import / Export ...
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Platform independent. software for chemistry. Highlights. 1998: Custom projects ... Platform independence and Web (Java) High performance tools (speed, capacity) ...
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Cartridge, enhanced stereo searching, recursive SMARTS, Chemical Terms, virtual synthesis ... Used 1.8 million vendor compounds to create a testing database ...
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Judit Papp, Mikls Vargyas
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Chemical Hashed Fingerprints encode structural patterns in bit strings ... Contains Fingerprints for screening and ChemAxon Extended SMILES for ABAS ...
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