Chemistry
Cheminformatics
Exercises
Molecule -> SMILES
SMILES -> Molecule
Convert a logP to a color
FormatConverter
HOSE code
Information for molecule
JcampConverter
JSME interactions
OpenChemLib js
Property explorer
Reagents calculator
Smiles
Virtual combinatorial library
Wikipedia
Database
DrugBank
Browse properties
Structure search
ChEMBL 20
Parsing data
SDF 3D plot
SDF as a table
SDF explorer
Tab delimited Parallel Coordinates
2D to 3D
2D to Confs
cristallOgraph
Elemental composition
Eutrophication potential
Generate molfiles
MSDS lookup
Name to structure
Periodic table
Solution calculation tool
Demo
Bioreactor
Griffith experiment
Maps - Pollution in Bogota
Maps - Trace viewer
Parallel coordinates - RGBa color viewer
Scatter 3D - Big data
SOM - classify colors
Surface plot
Image
Biology
IC50
Process
Binary mask generation
Demo create gradient
Demo Crop and Match
Demo various images
Load image and save attachment
Test masks
Test
Checking pan-zoom and image highlight
Match images
ML
Regression
Simple Linear Regression
Research
Coffee
Distance matrix
Coicaine
Coicaine
Images
Buttons
test
Test
Hierarchical clustering
K-means
Naive Bayes, KNN and FNN
Partial Least Squares (PLS)
Principal Component Analysis (PCA)
Savitzky-Golay derivatives
Support vector machines
TestCases
Iris
Protein
Information
Isoelectric point
JSMol
Demo scripting
PDB Selector
PDB Viewer
Spectra
IR
Exercises
Browse Spectra
IR viewer
Mass
Advanced analysis
Advanced MF from monoisotopic mass 2
MF from MM (all elements)
Petroleomics
Soups analysis from fragments
Soups analysis from specific fragments and peptide
Exercises
Determine charge
Isotopic distribution
MF Determination by mass
Monoisotopic mass
Chemcalc reference data
Contaminants
Information from a molecular formula
Information from a structure
MF from monoisotopic mass
MFs and monoisotopic mass generator
Peptide fragmentation
NMR
Exercises
1H exercise generator
Browse spectra
Find the structure from 1H spectrum
Number of different Hs
Peak picking
1D peak picking and assignment
2D peak picking
Predictions
13C Prediction
1H Prediction
All NMR predictions
COSY Prediction
HSQC HMBC Prediction
HSQC Prediction
Tools
Auto-assignment
Bulk spectra generator
Diastereotopic atoms
Multiplet simulator
Resurrect NMR spectra
Simulate spin system
Solvent impurities
Spectrophotometer
Test
Unsaturation
From MF
From structure
GC simulator
Tutorial
1. Introduction
1.1 Basic example
1.2 Adding a module
1.3 Table
1.4 Many out, 2D grid and background color
5. Modules
5.1 Display
5.1.2 Dynamic background color
5.1.4 Twig editor
5.2 Client interaction
5.2.1 Simple form
5.2.2 Forms and filters
5.2.3 Complex form
5.2.6 Drag and Drop and filters
5.3 Chart
5.3.1 Pie chart and Co
5.3.2 Highlight table -> chart
5.3.3 Scatter 3D & parallel coordinates
5.3.4 Tree
5.3.5 Hexagonal map
5.3.6 Convert array to chart
5.3.7 Scatter 3D chart format example
5.3.8 Overlap - superimpose signals
5.3.9 Scatter serie selector
5.4 Matrix
5.4.1 Random
5.5 Slick Grid
Compute properties
6.1 Science
6.1.1 JsGraph plotter and annotations
6.1.2 OCL molecule editor
6. Renderer
6.1 Basic renderer
6.2 HTML, regexp, svg, color
6.3 Images
6.4 Indicator
6.5 Chemical renderer
6.6 Sparklines
7. Library
7.1 Distinct color
7.2 Papaparser demonstration
7.10 Numeric.js
9. Advanced
9.2 Script Executor - small function
9.3 Simple script executor
9.4 Script Executor
9.5 simple random test
9.6 Table edition
9.7 Create a PNG image in javascript
9.8 Create and download a ZIP
9.9 Create bullets images and download a ZIP
9.10 Switch between layers
9.11 Display notifications from code executor
9.12 Attachments
9.13 Async code executor for image analysis
9.14 Prime number
9.15 Confirmation dialog box
9.16 Decompress zip file
9.17 SVG 'art creation from script
9.18 JsGraph and large data set
9.19 Large dataset in slick grid
9.20 SVG using Snap.svg library
9.21 Testing fragmentation pattern using Snap.svg
Utility
Convert image dataURL to image
Encode / decode base64
HTML Editor
JSON stringify
JSON viewer
Markdown explorer
Nice tools on the internet
RegExp explorer