cheminformatics
Fix aromaticity from SDF
Chemistry
Cheminformatics
Exercises
Molecule -> SMILES
Molfile -> Molecule
SMILES -> Molecule
Combine groups
Convert a logP to a color
Create diastereotopic SVG
Create model
Create stereoisomers
Demo analyse molfile
Diastereotopic ID
Display OCLcode oclID
FormatConverter
Generate InChI
HOSE code
Information for molecule
JcampConverter
JSME interactions
OpenChemLib Extended demo page
OpenChemLib js
Property explorer
RDKit demo
Reagents calculator
Smiles
SMILES to svg
Swiss GHS - CLP safety
Test JSON creator
Test product any information
Virtual combinatorial library
Wikipedia
Database
DrugBank
Browse properties
Structure search
PubChem
Search by exact mass in PubChem
ChEMBL 20
Knapsack
Parsing data
Parse and filter
SDF 3D plot
SDF as a table
SDF explorer
Smiles List to molecule properties
Tab delimited Parallel Coordinates
2D to 3D
2D to Confs
3D model visualizsation
cristallOgraph
Custom periodic table
Elemental composition
Eutrophication potential
Generate molfiles
Isomer generator
MSDS lookup
Name to structure
Periodic table
Solution calculation tool
Demo
Bioreactor
Griffith experiment
Lora
Lora Decrypt
Maps - Pollution in Bogota
Maps - Trace viewer
Parallel coordinates - RGBa color viewer
Plasmid viewer
Scatter 3D - Big data
SOM - classify colors
Sunset Sunrise
Surface plot
Image
Biology
Colonies
Counting plates
IC50
IC50 v2
Region of interests
image-js
Gaussian filter
Image info
Process
Binary mask generation
Cell division
Cell division 2
Demo create gradient
Demo Crop and Match
Demo ROIs
Demo various images
Histogram
Load image and save attachment
Test masks
Test
Checking pan-zoom and image highlight
Match images
XTC
01-extraction
02-clustering
ML
Regression
Research
Cocaine
Cocaine
Coffee
Distance matrix
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
Chromatogram
GC-LC
Integrated exercises
EM NMR 1H
IR MS NMR 1H
IR NMR 1H 13C
IR
Exercises
Browse Spectra
Determine structure
First Defender
IR viewer
Spectra comparator
IV
IV viewer
Mass
Advanced analysis
Advanced MF from monoisotopic mass
MF from MM (all elements)
Petroleomics
PubChem molecular formula statistics
Searching contaminants
Soups analysis from fragments
Soups analysis from specific fragments and peptide
Exercises
Create exam questions
Determine charge
Electronic Impact
Isotopic distribution
MF Determination by mass
Monoisotopic mass
GC-LC/MS
HR LC-MS GC-MS analysis
intensity integration
LC-MS GC-MS analysis
Net CDF GC-LC MS explorer
Think
OLD - Information from MF or structure
OLD MF from monoisotopic mass and PubChem
Chemcalc reference data
Contaminants
Information from MF or structure
Isotopic distribution generator with peptides
Mass fragmentation
MF from monoisotopic mass
Peptide and nucleotide fragmentation
Simple combination of MFs
NMR
Exercises
13C NMR
1H exercise generator
1H NMR basic structure assignment
1H NMR integrate and find the structure
1H NMR spectra of Boc amino acids
1H NMR spectra of small molecules
1H number of signals
Assign 1H NMR spectra to molecule
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
Browse spectra
Bulk spectra generator
Diastereotopic atoms
IconNMR
Multiplet simulator
Resurrect NMR spectra
Simulate spin system
Solvent impurities
Spectrophotometer
Test
Unsaturation
From MF
From structure
Utilities
Global Spectra Deconvolution
NetCDF explorer
NMR Mass exam creator
Peak peaking
Spectra for exercises
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 Advanced onde 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
6.7 Barcode and QRCode
6.8 Chart JSON format renderer
6.9 Flags
7. Library
7.1 Distinct color
7.2 Papaparser demonstration
7.3 Superagent and files from GitHub Ajax
7.10 Numeric.js
8. Images
9.7 Create a PNG image in javascript
9.9 Create bullets images and download a ZIP
9.13 Async code executor for image analysis
9.17 SVG 'art creation from script
9.20 SVG using Snap.svg library
9.21 Testing fragmentation pattern using Snap.svg
Associate sources to targets (cell tracking)
Demo interactive SVG
9. Advanced
9.2 Script Executor - small function
9.3 Simple script executor - encode
9.4 Script Executor
9.5 simple random test
9.6 Table edition
9.8 Create and download a ZIP
9.10 Switch between layers
9.11 Display notifications from code executor
9.12 Attachments
9.14 Prime number
9.15 Confirmation dialog box
9.16 Decompress zip file
9.18 JsGraph and large data set
9.19 Large dataset in slick grid
9.22 Decryption Cesar
9.23 Saving and inserting shortcuts
9.24 Calculate prime number
9.24 Generate a list of UUID
9.25 Couchdb attachments
GSD
Processing Loading progress
QRcode generator
Slick Action and dialog
Twig dynamic form experiments
10. Image
Display polyline SVG
imagejs - IJS and panzoom
Visualizer Helper and forms
Utility
Convert image dataURL to image
Convert image to image dataURL
Encode / decode base64
Font awsome interesting icons
HTML Editor
JSON filter
JSON stringify
JSoN text parse - stringify
JSON viewer
Markdown explorer
Nice tools on the internet
Parse Arduino multilog format
RegExp explorer