histogram widget scatter plot widgets radar chart widget box plot widget container widgets panel widget tabbed panel widget conditional formatting step by step guide creating templates copying views adding and deleting rows editing multiple values printing renderers pivoting in ijc lists and queries running...
Document to Structure History of Changes
<cml> Children: <molecule> <reaction> <molecule> Attributes: title Children: <propertyList> <propertydictRef="name" title="name">- A property. <scalar[dataType="dataType"]>value- Supported data types: "string" (default), "boolean", "integer", "double", "ENTITY" (for special property ...
properties belong. Here the “atom” keyword points to atom “Atom.1.Mol.2” in the earlier ChemLog JSON listing for the molecular geometry. Essentially, this referencing approach mimics the ability to link different sets of data. The referencing feature is missing in the current JSON specificat...
“Unusualperoxides”1havegainedprominencebothintheo-retical2andexperimentalstudies3-6aseitherputativeintermedi-atesorisolatedspeciesinoxidationreactions.ThesetofspecieshavingthegeneralmolecularformulaXO2(X)CH2,SH2,PH3)representsaspecialclassofoxidizingagentswhichcanoperatebynonradicalmechanisms.SeverallogicalLewisstruc...
In 3, the neutral pymtH with both nitrogen and sulfur as potential donating atoms adopted the monodentate coordination mode, binding the metal centers exclusively through the exocyclic sulfur atom in terminal (S1, S1A; A in Chart 1) and bridging (S2, S2A; B) modes. The two copper atoms...
Force Deflection Chart Normal working de ection 20 HEAVY Maximum working de ection MEDIUM LIGHT 15 Bal Spring® canted coil 10 spring Cantilever 5 Helical spring Elastomeric O-Ring 0 0 10 20 30 40 50 Spring De ection (%) Spring Materials Stainless Steel (302, 316, 316L), MP35N®, ...
Copy Adding theviewPaneand menubar to a JFrame: JFrame win=newJFrame();JMenuBar menubar=newJMenuBar();win.setJMenuBar(menubar);win.setTitle("MarvinView Table Layout Example");win.setDefaultCloseOperation(JFrame.EXIT_ON_CLOSE);win.getContentPane().setLayout(newGridLayout(1,1));win.getContentPa...
Calculator Plugins Introduction to Calculator Plugins Calculator Plugins User's Guide Physico-chemical plugins Molecular modeling plugins Structural property plugins Markush Enumerator Plugin Markush features Markush functionalities Training the Calculator Plugins ...
Chemaxon's hERG models We built two hERG models, anactivity modeland a two-class (TOXICorSAFE)classification model. The hERG activity model The activity model was built using multiple publicly available data sources, including thehERG Central DataBase,ChEMBLand various selected publications and paten...