Cheminfo @cheminformatics
FAIR building blocks for chemistry and beyond. cheminfo.github.io Lausanne, Switzerland Joined September 2014-
Tweets21
-
Followers522
-
Following1
-
Likes4
Our first "virtual spectroscopy laboratory" now published in J Chem Edu. @cheminformatics @EPFL_CHEM_Tweet #chemtwitter
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.jc… @EPFL_CHEM_Tweet
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.jc… @EPFL_CHEM_Tweet
Teaching 👩🏫 IR spectroscopy or organic chemistry 🧪? Check out our new tool that leverages simulations to make IR spectra interactive! preprint: chemrxiv.org/engage/chemrxi… try here: ir.cheminfo.org #ChemTwitter @cheminformatics, @Smit_Berend @EPFL_CHEM_Tweet
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
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/default/…
Image processing in javascript ? image-js (npmjs.com/package/image-…) 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.
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/structu… (using Google Chrome)
@OpenBioprinting Here is a video of the DIY spectrophotometer: youtube.com/watch?v=ZfckWQ…
Check our electronic laboratory notebook designed for organic chemists ... but not only! c6h6.org and youtu.be/SHN07asZaGc
Get information about elements of the periodic table using our Telegram bot: telegram.me/periodic_bot
Calculate directly information about molecular formula using our Telegram bot: telegram.me/chemcalc_bot.
Want to play a little bit and guess the structure of unknown products based on NMR spectra ? cheminfo.org/Spectra/NMR/Ex…
Test mass fragmentations of a molecule. Draw the molecule and click on the breakable bonds. cheminfo.org/Spectra/Mass/M…
We just published a new algorithm that allows the computer to learn by itself to predict chemical shifts dx.doi.org/10.1186/s13321…
Simulate complex NMR 1H multiplet directly on-line with a modern browser. cheminfo.org/Spectra/NMR/To…
Create virtual combinatorial libraries directly from the browser and filter based on predicted chemical properties. cheminfo.org/Chemistry/Chem…
The website cheminfo.org compiles amazing tools that we have developed. Friday, learn how to create them linkedin.com/redirect?url=h…
Our last development: substructure and similarity chemical search for wikipedia cheminfo.org/wikipedia
Using ChemCalc you can specify resolution (FWHM). This will apply a gaussian to the isotopic distribution.
New: Download NMR predicted spectra as jcamp and reopen them ChemDraw, Mestrec ! nmrdb.org/13c/
Machine Learning: Sci... @MLSTjournal
9K Followers 10K Following A multidisciplinary, #openaccess journal devoted to the application and development of #machinelearning for the sciences. Published by @IOPPublishing.
Waser Group @LcsoLab
14K Followers 7K Following Driven by Passion for Chemistry Organic Chemistry Lab @EPFL_CHEM_Tweet @EPFL_en @NCCR_Catalysis @SNE_ChemBio
Philippe Schwaller (h... @pschwllr
5K Followers 3K Following Tenure-Track Assistant Professor of Digital Chemistry at @EPFL with @SchwallerGroup | @NCCR_Catalysis | prev @IBMResearch @forRXN | ML/AI-accelerated Chemistry
hiro29 @hiro2998460308
1 Followers 29 Following
Nidhi Garg, Ph.D. @Nidhigarg1994
717 Followers 1K Following Post-Doctoral Fellow, VSB-TU,Czech Republic | Ph.D, IIT KANPUR, India | Raman Charpak Fellow-2022 | https://t.co/gOOMKfihzo
Cedric Beny @cbeny
11 Followers 145 Following
Artemio Fanasci @MumikiNeki
0 Followers 6 Following
Esi @esi_journal
159 Followers 132 Following دانشجوی شیمی کاربردی - در حال یادگیری پایتون | در اینجا محتوای ذهن من که شامل روزمرگی، تجربیات و تفکراتم هست قرار داده میشه.
Karina Martinez @karma_twitt
181 Followers 336 Following Computational #chemicalbiology @UNAM_mx previously @TPIMS @uarizona. Crush #data w #MachineLearning #ArtificialIntelligence and it´ll tell you everything
Sorin Avram @SorinAvramDD
1 Followers 14 Following
J4HN @wolfvortex2003
3 Followers 120 Following
さか @skmtLCUp
8 Followers 212 Following
Vijay Mahajan @Vijay_Mahajan01
88 Followers 655 Following Master's student| Institute of Chemical Technology,Mumbai | Fergussonian 👨🎓
Lohpuiw @Lohpuiw4897
49 Followers 3K Following
Julio Puigcerver @PuigcerverJulio
300 Followers 751 Following PhD in Organic Chemistry | @socumu_lab (Univ. of Murcia) | FPU-POP
Ligand in the Loop @LigandintheLoop
4 Followers 180 Following I'm a pharmaceutical chemist working at the interface of cheminformatics, molecular modeling, and machine learning. All views are my own.
Amir Mostaghimi @AmirMostaghimi4
9 Followers 11 Following Cheminformatics @ the University of Calgary Developer, explorer, Traveler
Tinku Pratap @TinkuPratap1
7 Followers 452 Following
माधव(Madhava) @b_tamane
17 Followers 469 Following I am sensitive I trust on humanity, I also care words and I would like use words carefully
hongling wang @AnnHongling
0 Followers 65 Following
Veenapriya K M @Veenasreedharkm
0 Followers 40 Following
n @carelesss_10
74 Followers 641 Following
Sundaresan Ravi @the_sundaresan
59 Followers 672 Following An Undergraduat Chemistry Student (4th year) interested in Theoretical & Computational Chemistry and Chemical Informatics. (AI,ML,DS)
ThilibanManivarma @fluxthiliabt
133 Followers 417 Following Computational Chemist at Aurigene Pharmaceutical Service Limited | Molecular Modelling | Structural Bioinformatics | Computer-Aided-Drug-Design | Drug Discovery
Pratik Shewale @pratikshewalept
13 Followers 387 Following
Kutand Alkım Bayer @kutandalkim
741 Followers 7K Following IZTECH-Chemistry, this is my official account, opinions and views are my own, interested in science and technology.
AJAY MANAITHIYA @ajay_manai65245
0 Followers 87 Following
Roland Haroutiounian @roland_har
121 Followers 174 Following Diplômé de #chimie, #chémoinformatique, #chimiométrie. #Agiliste. Etudiant de #kendo.
Faniry Andriamiseza @faniry_asz
10 Followers 27 Following Woman in science 👩🏾🔬 interested in chemistry of gels, soft matter and in coding 👩🏾💻 PhD student in 🇫🇷
Andreas Blaser @AndreasBlaser7
2 Followers 283 Following
Zainab @zainabali337
147 Followers 453 Following Student at @Chemistry_IAU | @MawhibaAlumni | exmember of @SCSC_IAU | @chemclub_IAU_ | KAUST Academy AI program | you can do it 💕
prima @DwellBliss
6 Followers 110 Following
Aoyang Chen @aoyangchen
331 Followers 5K Following MSc Biotechnology, Bioinformatics and Systems Biology @WUR | Toxicology & PBK modelling | ML for enzyme interactions | Predictive pharmacology and biomarkers
Fun Man Fung @chemFunMan
2K Followers 1K Following Asst. Professor @UCDDublin | VS Research Fellow @NUSingapore | Digital Technology 🇮🇪 Spatial eXtended Reality ☘️ Advancing Learning @SenpaiLearn 🇸🇬
Abhishek Singh @now7x
216 Followers 5K Following startup generalist • storyteller • writings at https://t.co/J5CfSvGNZg
Khalid Helmy @KhalidH57629005
0 Followers 54 Following
HE @HE220624327682
0 Followers 25 Following
delia.serna @delia_analytik
428 Followers 3K Following Mass Spectrometry enthusiast, analytical instrumentation horder and chromatography believer. Opinions my own.
Galano Jean-Marie @JeanGalano
501 Followers 559 Following Natural product chemist. In love with Oxylipins, always in oxidative stress condition...tweets are my own.
oscar @oscar7197721502
3 Followers 71 Following
AW @OriginalViceGod
4 Followers 130 Following
Sinchan Mukhopadhyay @s_mukherjee_97
52 Followers 266 Following Chemist by profession, curious about almost everything, Obsessed with music 🎶
Alvascience @alvascience
407 Followers 298 Following Software Solutions for Cheminformatics and QSAR #QSAR #cheminformatics #machinelearning #moleculardescriptors #compchem https://t.co/DAPqh9KCqH
Nam Nhat Hoang @Kalakaroum
0 Followers 3 Following
Chirosynkem laborator... @chirosynkem
234 Followers 3K Following we specialize in the design and synthesis of small molecules, hit to lead optimization, email: [email protected], https://t.co/kkHZ2AJzo5
FrederikaF @FrederikaFloren
0 Followers 20 Following
Kevin M Jablonka @kmjablonka
2K Followers 3K Following Trying to teach computers about materials @jablonkagroup @UniJena & @HZBde. You can use https://t.co/HXvlhpq56i to provide feedback.You might like
