FAIR building blocks for chemistry and beyond.
Joined September 2014
- Tweets 21
- Following 1
- Followers 522
- Likes 4
12 Photos and videos
Cheminfo retweeted
27 Jan 2022
Our first "virtual spectroscopy laboratory" now published in J Chem Edu.
@cheminformatics @EPFL_CHEM_Tweet
#chemtwitter
27 Jan 2022
A little ashamed, but my first J Chem Educ article! Draw a molecule, predict its IR spectrum, and see which vibration corresponds to a line. The amazing part: all you need is a browser ir.cheminfo.org/ Credits:@kmjablonka @cheminfo doi.org/10.1021/acs.jchemed.… @epfl_chem_tweet
1
5
26
Cheminfo retweeted
27 Jan 2022
A little ashamed, but my first J Chem Educ article! Draw a molecule, predict its IR spectrum, and see which vibration corresponds to a line. The amazing part: all you need is a browser ir.cheminfo.org/ Credits:@kmjablonka @cheminfo doi.org/10.1021/acs.jchemed.… @epfl_chem_tweet
24
185
666
Cheminfo retweeted
12 Oct 2021
Teaching 👩🏫 IR spectroscopy or organic chemistry 🧪?
Check out our new tool that leverages simulations to make IR spectra interactive!
preprint: chemrxiv.org/engage/chemrxiv…
try here: ir.cheminfo.org/
#ChemTwitter
@cheminformatics, @Smit_Berend @EPFL_CHEM_Tweet
7
84
225
30 Apr 2021
Today we are proud to announce NMRium.org. A website that allows to process NMR spectra (1D and 2D) for free directly from the browser.
Dust off your NMR knowledge by trying out our 1D exercises! nmrium.org/teaching/demo
2
4
16
9 Jan 2019
We are currently looking for a JavaScript programmer to contribute to the open-source development of a graphical application for scientific data processing.
If you have competencies in collaborative javascript development check the following offer:
stellenwerk-koeln.de/sites/d…
1
17 Sep 2018
Image processing in javascript ? image-js (npmjs.com/package/image-js) provides advance tools not only for basic processing like rotation, scaling, blur, colour level, etc. but also to analyse complex images using region of interests (ROIs), minimal boundary rectangle, etc.
2
6
8 Oct 2017
Are you teaching structural analysis (mass, IR or NMR) or just would like to make some exercises ? You could try the website we created for our teaching: cheminfo.org/flavor/structur… (using Google Chrome)
4
13
19
16 May 2017
Check our electronic laboratory notebook designed for organic chemists ... but not only! c6h6.org and youtu.be/SHN07asZaGc
4
6
24 Oct 2016
Get information about elements of the periodic table using our Telegram bot: telegram.me/periodic_bot
2
5
2 Oct 2016
Calculate directly information about molecular formula using our Telegram bot: telegram.me/chemcalc_bot.
1
3
11 Jun 2016
Want to play a little bit and guess the structure of unknown products based on NMR spectra ? cheminfo.org/Spectra/NMR/Exe…
3
5
1 Jun 2016
Test mass fragmentations of a molecule. Draw the molecule and click on the breakable bonds. cheminfo.org/Spectra/Mass/Ma…
2
4
6 May 2016
We just published a new algorithm that allows the computer to learn by itself to predict chemical shifts dx.doi.org/10.1186/s13321-01…
3
6
1 Dec 2015
Simulate complex NMR 1H multiplet directly on-line with a modern browser. cheminfo.org/Spectra/NMR/Too…
1
4
26 May 2015
Create virtual combinatorial libraries directly from the browser and filter based on predicted chemical properties.
cheminfo.org/Chemistry/Chemi…
1
3
21 Apr 2015
The website cheminfo.org compiles amazing tools that we have developed. Friday, learn how to create them linkedin.com/redirect?url=ht…
1
1
18 Mar 2015
Our last development: substructure and similarity chemical search for wikipedia cheminfo.org/wikipedia
1
1
29 Sep 2014
Using ChemCalc you can specify resolution (FWHM). This will apply a gaussian to the isotopic distribution.
1
2
23 Sep 2014
New: Download NMR predicted spectra as jcamp and reopen them ChemDraw, Mestrec ! nmrdb.org/13c/
3
11 Sep 2014
Predict 1H proton NMR spectra directly from a web browser supporting HTML5. No need for java! nmrdb.org/new_predictor/
1
1
2