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Ketcher File Structure
How is the Ketcher file structured? At a high level, a Ketcher file is structured to represent an object with a required property "root", which has a property "nodes" to hold an array of graphical objects. The hight level structure of a Ketcher file looks like this: { "root": { "nodes": [ &lt;ob...
2024-04-14, 1503🔥, 0💬

open-reaction-database.org - ORD (Open Reaction Database)
What is open-reaction-database.org - ORD (Open Reaction Database)? open-reaction-database.org is a Website for the ORD (Open Reaction Database) Project for building an open access chemical reaction database to support machine learning and related efforts in reaction prediction, chemical synthesis pl...
2024-12-18, 1482🔥, 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, 1473🔥, 0💬

indigo.generateImageAsBase64() - Generate Image as Base64
How to generate images of a given structure as a Base64 encoded string with the indigo.generateImageAsBase64() method? If you want to generate an image of a given structure in PNG, JPEG, or SVG format and Base64 encoded, you can use the indigo.generateImageAsBase64() method on the Ketcher Indigo int...
2023-11-09, 1466🔥, 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, 1456🔥, 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, 1453🔥, 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, 1451🔥, 0💬

Import Ketcher File to Editor
How to import Ketcher file to the Ketcher editor? If you created a Ketcher file, you can verify it by importing it to the Ketcher editor as described below: 1. Create a Ketcher file, cyclobutane.ket, with a text editor: { "root": { "nodes": [ { "$ref": "mol0" } ] }, "mol0": { "type": "molecule", "at...
2024-03-23, 1437🔥, 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, 1391🔥, 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, 1382🔥, 0💬

Adding Text Labels in Ketcher File
How to add text labels in a Ketcher file? You can insert a "text" object structure into the "nodes" array to add a text label in a Ketcher file as shown below: { "type": "text", "data": { "content": &lt;text-definition&gt ;,"position": &lt;location-object&gt ;,"pos": &lt;bounding...
2024-02-28, 1361🔥, 0💬

editor.structSelected() - Get Selected Sub-Structure
How to get the selected sub-structure currently in the Ketcher editor with the editor.structSelected() method? If you want to get detailed information about the selected sub-structure currently in the Ketcher editor, you can use the editor.structSelected() method on the Ketcher Editor interface. Her...
2023-11-23, 1333🔥, 0💬

Export Ketcher File from Editor
How to export structure from Ketcher editor in Ketcher file format? The best way to learn the Ketcher file format is to export different types of chemical structures for the Ketcher editor in Ketcher file format as described below: 1. Open Ketcher editor as shown in previous tutorials. 2. Select the...
2024-03-23, 1327🔥, 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, 1296🔥, 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, 1285🔥, 0💬

Introduction to Chemical Reaction
Where to find FAQ (Frequently Asked Questions) in understanding what is Chemical Reaction and its basic properties? Here is a list of tutorials to answer many frequently asked questions compiled by FYIcenter.com team in understanding what is Chemical Reaction. What Is Chemical Reaction What Is React...
2023-09-25, 1285🔥, 0💬

Ketcher File Structure for Reaction
What is the Ketcher file structure for a chemical reaction? The Ketcher file structure for a chemical reaction is an extension of the Ketcher file structure for a molecule. Additional molecule objects are added as reactants, reagents, solvents, and products of the reaction. A long arrow is also adde...
2024-02-18, 1284🔥, 0💬

Reaction FYI-1013281
Reaction Summary: ID: FYI-1013281 Formula: [C6 H6] > [C7 H6 O] SMILES: C1C=CC=CC=1>>C1C=CC=C(C=O)C=1 Received at FYIcenter.com on: 2024-12-03
2024-12-18, 1278🔥, 0💬

editor.struct() - Get Entire Structure
How to get the entire structure currently in the Ketcher editor with the editor.struct() method? If you want to get detailed information about the entire structure currently in the Ketcher editor, you can call the editor.struct() method on the Ketcher Editor interface. Here is an HTML document that ...
2023-12-08, 1270🔥, 0💬

Ketcher File Format for Chemical Structures
Where to find FAQ (Frequently Asked Questions) on Ketcher File Format for Chemical Structures? Here is a list of tutorials to answer many frequently asked questions compiled by FYIcenter.com team on Ketcher File Format for Chemical Structures. What Is Ketcher File Format Ketcher File Structure Expor...
2024-02-11, 1267🔥, 0💬

Reaction Online Resources
Where to find FAQ (Frequently Asked Questions) on Reaction online resources? I want to use them to create, visualize or search reactions. Here is a list of tutorials to answer many frequently asked questions compiled by FYIcenter.com team on Reaction online resources. lifescience.opensource.epam.co m...
2024-11-23, 1266🔥, 0💬

Call getSmiles() and getSmarts() Parallelly
Why do getSmiles() and getSmarts() methods return the same result, if they are called in 2 parallel promises? There seems to be a bug in Ketcher v2.11.0 release. If you call getSmiles() and getSmarts() methods one after the other, you are creating 2 promises The first promise seems to be overriding ...
2024-01-24, 1253🔥, 0💬

What Is Ketcher File Format
What is Ketcher File Format? A Ketcher file is a JSON document that stores the entire content created in the Ketcher editor. It supports the following features: Supports molecule 3-D structures. Supports chemical reactions. Supports styled text labels. Supports S-Groups. Here is a simple example of ...
2024-02-11, 1246🔥, 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, 1228🔥, 0💬

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