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ketcher.getRxn() - Export Reaction in RXN Format
How to export the reaction structure in RXN format from the Ketcher with the ketcher.getRxn() method? To export the reaction structure in RXN format from the Ketcher, you can use the getRxn() method provided by the Ketcher API as shown in below: 1. Load the Ketcher editor in an "iframe" HTML element...
2023-12-10, 552🔥, 0💬

indigo.convert() - Convert Structure Formats
How to convert file formats of a given structure with the indigo.convert() method? If you want to convert a chemical structure from one file format to another, you can use the indigo.convert() method on the Ketcher Indigo interface. The indigo.convert(input, opts) method takes two arguments: input -...
2023-10-12, 546🔥, 0💬

What Is Ketcher Editor Interface
What is Ketcher Editor interface? Ketcher Editor interface is part of the Ketcher JavaScript API that allows you to interact with Ketcher editor UI elements. To access Ketcher Editor interface, you need to access the "ketcher" object as a property of the content "window" object of the "iframe" where...
2023-12-08, 543🔥, 0💬

SMARTS for Reaction Patterns
What are SMARTS string representations for reaction patterns? SMARTS is an extension of SMILES to represent molecular patterns. But it can represent chemical reaction patterns using the following format: R 1 .R 2 ....&gt;A 1 .A 2 ....&gt;P 1 .P 2 .... Where: R 1 , R 2 , ... are SMARTS string...
2023-12-29, 540🔥, 0💬

Call getInchi() and generateInchIKey() Methods
How to generate the InChI and InChIKey with the ketcher.getInchi() and ketcher.generateInchIKey() methods? InChI (International Chemical Identifier) and InChIKey (InChI Key) are identifiers of molecule structures, originally developed by Initially developed by the International Union of Pure and App...
2023-12-14, 533🔥, 0💬

Reaction FYI-1005092
Reaction Summary: ID: FYI-1005092 Formula: [C5 H8] > [C5 H8] SMILES: [CH2:1]=[CH:2]/[CH:3]=[CH:4]/[ CH2:5][H:6]>>[H:6][CH2:1]/[CH: 2]=[CH:3]/[CH:4]=[CH2:5]Received at FYIcenter.com on: 2023-10-13
2023-10-13, 525🔥, 0💬

Reaction FYI-1005094
Reaction Summary: ID: FYI-1005094 Formula: [C2 H4 O2] > [C4 H8 O2] SMILES: C[C:2]([OH:1])=[O:1]>>C[C:2](O CC)=[O:1]Received at FYIcenter.com on: 2023-10-13
2023-10-13, 522🔥, 0💬

kinetics.nist.gov/kinetics - NIST Chemical Kinetics Database
What is kinetics.nist.gov/kinetics - NIST Chemical Kinetics Database? kinetics.nist.gov/kinetics is a Website for a Chemical Kinetics Database provided by NIST (National Institute of Standards and Technology). It contains kinetics data on gas-phase reactions with a search interface. You can go to ki...
2024-10-25, 520🔥, 0💬

Use Ketcher as JS Library Without UI
How to Ketcher as a JavaScript library without the editor UI? Since Ketcher offers so many API functions, we can just use it as a JavaScript library without its editor UI. Here is an HTML document that shows you how to hide the Ketcher editor UI and use it as JavaScript library: &lt;html&gt;...
2023-10-27, 518🔥, 0💬

editor.setOptions() - Set Editor Options
How to get a list of options used by the Ketcher editor with the editor.setOptions() method? If you want to update one or more options used by the Ketcher editor, you can use the editor.setOptions() method on the Ketcher Editor interface. Here is an HTML document that shows you how to update some op...
2023-11-18, 516🔥, 0💬

Reaction FYI-1005090
Reaction Summary: ID: FYI-1005090 Formula: [C6 H11 Cl]+[H O] > [C6 H12 O]+[Cl] SMILES: C1C[C@@H](Cl)C[C@H]1C.[OH-]>>C 1C[C@H](O)C[C@H]1C.[Cl-]Received at FYIcenter.com on: 2023-10-13
2023-10-27, 497🔥, 0💬

What Is Ketcher Indigo Interface
What is Ketcher Indigo interface? Ketcher Indigo interface is part of the Ketcher JavaScript API that allows you to use some Indigo Toolkit functionalities. To access Ketcher Indigo interface, you need to access the "ketcher" object as a property of the content "window" object of the "iframe" where ...
2023-11-13, 491🔥, 0💬

Introduction to Ketcher
Where to find FAQ (Frequently Asked Questions) on basic understanding of Ketcher, Chemical Structure Editor in JavaScript? Here is a list of tutorials to answer many frequently asked questions compiled by FYIcenter.com team on basic understanding of Ketcher, Chemical Structure Editor in JavaScript. ...
2023-11-02, 470🔥, 0💬

Save Structure from Ketcher to Server
How to save structures created in Ketcher editor to the Web server? If you want to save the chemical structure created in the Ketcher editor to the backend Web server, you need write JavaScript code to extract the molecule data and send it as an HTML form parameter to the server. 1. Create a new HTM...
2023-10-11, 469🔥, 0💬

What Is Chemical Reaction
What Is Chemical Reaction? A Chemical Reaction is a process in which the bonds are broken within reactant molecules, and new bonds are formed within product molecules in order to form a new substance. There are 6 main types of chemical reactions: Combustion Reaction - A reaction with a combustible m...
2023-10-15, 467🔥, 0💬

Ketcher User Interface Menu Icons
What are Ketcher user interface menu icons? Ketcher user interface menu icons are organized into 4 toolbars: 1. Action toolbar - Displayed horizontally at the top of the window, the main toolbar contains the following buttons to perform different actions: Clear canvas - Removes everything in the edi...
2023-11-06, 465🔥, 0💬

Reaction FYI-1005064
Reaction Summary: ID: FYI-1005064 Formula: [C2 H4 O2]+[C2 H6 O] > [C4 H8 O2] SMILES: CC(O)=O.CCO>>CC(OCC)=O Received at FYIcenter.com on: 2023-10-12
2023-10-27, 462🔥, 0💬

Export Chemical Structure in All Formats Failed
What will happen if I export the chemical structure in all formats in parallel promises? If you export the chemical structure in all formats in parallel promises by calling get*() methods, you will get unpredictable results. This is caused by a code bug in the Ketcher v2.11.0 release. The following ...
2024-01-10, 457🔥, 0💬

Reaction Presentations and File Formats
Where to find FAQ (Frequently Asked Questions) on Reaction Presentations and File Formats? Here is a list of tutorials to answer many frequently asked questions compiled by FYIcenter.com team on Reaction Presentations and File Formats. SMILES for Reactions SMARTS for Reaction Patterns SMIRKS for Gen...
2023-11-25, 457🔥, 0💬

CML (Chemical Markup Language) for Reactions
What Is CML (Chemical Markup Language)? CML (Chemical Markup Language) is an XML based file format to store chemical structures including molecules and reactions. CML has been developed by Murray-Rust, Rzepa and others since 2010. Example of a CML file for a reaction: &lt;?xml version="1.0" ?&am...
2024-08-14, 452🔥, 0💬

What Is Reaction Equation
What Is Reaction Equation? A Reaction Equation or Chemical Equation is an expression that represents a chemical reaction. A reaction equation uses the following basic format: m 1 R 1 + m 2 R 2 + ... → n 1 P 1 + n 2 P 2 + ... Where: R 1 , R 2 , ... are molecular formulas of reactants m 1 , m 2 , ... ...
2023-10-15, 438🔥, 0💬

Export Chemical Structure in All Formats
How to export the chemical structure in all Formats? If you want to export the chemical structure from the Ketcher editor in all formats, you can call those get*() methods in chained promises as shown the HTML document below: &lt;html&gt; &lt;!-- export-structure-in-all-format s.htmlCopy...
2024-01-15, 419🔥, 0💬

MRV (ChemAxon Marvin Document) for Reactions
What Is MRV file format? MRV (ChemAxon Marvin Document) is an XML based chemical structure file format used by Marvin, developed by ChemAxon. MRV can be used to store molecule structures and chemical reactions. Example of a MRV file for a reaction: &lt;?xml version='1.0' encoding='UTF-8'?&gt...
2024-11-05, 417🔥, 0💬

Restore Structure from Server to Ketcher
How to restore a chemical structure from the Web server to the Ketcher editor? If you want to build a chemical structure editor with the capability to save the structure on the Web server and restore it later to the Ketcher, you should follow steps described below: 1. Using JavaScript to export the ...
2023-10-11, 415🔥, 0💬

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