Elsci
@elsci.bsky.social
Cool scientific software: https://elsci.io
To those interested both in chemistry and coding, we've released a plugin for JetBrains IDEs (IntelliJ, PyCharm, etc) called.. Chemistry 🤗
Try out it: plugins.jetbrains.com/plugin/29847...
We'd like the ideas for features to come from the community. So if you want something, let us know!
Try out it: plugins.jetbrains.com/plugin/29847...
We'd like the ideas for features to come from the community. So if you want something, let us know!
Chemistry - IntelliJ IDEs Plugin | Marketplace
Depict chemical structure right in the IDE. Currently only SMILES format is supported: Alt+Shift+D / Option+Shift+D - depict chemical structure. Only SMILES format is...
plugins.jetbrains.com
January 26, 2026 at 8:49 AM
To those interested both in chemistry and coding, we've released a plugin for JetBrains IDEs (IntelliJ, PyCharm, etc) called.. Chemistry 🤗
Try out it: plugins.jetbrains.com/plugin/29847...
We'd like the ideas for features to come from the community. So if you want something, let us know!
Try out it: plugins.jetbrains.com/plugin/29847...
We'd like the ideas for features to come from the community. So if you want something, let us know!
A new page on multiply-charged species in #massspec and in Peaksel specifically: elsci.io/docs/peaksel...
#chromatography #lcms #hplc
#chromatography #lcms #hplc
Multiply-charged species :: Elsci
elsci.io
December 3, 2025 at 5:44 PM
A new page on multiply-charged species in #massspec and in Peaksel specifically: elsci.io/docs/peaksel...
#chromatography #lcms #hplc
#chromatography #lcms #hplc
Identify unknowns faster using #MassSpec and good user experience:
Holding a Shift and hovering over the spectra shows the distance between the currently highlighted mass and the rest of masses.
Docs: elsci.io/docs/peaksel...
www.youtube.com/watch?v=QUTk...
#chromatography #hplc #lcms
Holding a Shift and hovering over the spectra shows the distance between the currently highlighted mass and the rest of masses.
Docs: elsci.io/docs/peaksel...
www.youtube.com/watch?v=QUTk...
#chromatography #hplc #lcms
Mass spec unknown masses
YouTube video by Elsci
www.youtube.com
December 2, 2025 at 8:55 AM
Identify unknowns faster using #MassSpec and good user experience:
Holding a Shift and hovering over the spectra shows the distance between the currently highlighted mass and the rest of masses.
Docs: elsci.io/docs/peaksel...
www.youtube.com/watch?v=QUTk...
#chromatography #hplc #lcms
Holding a Shift and hovering over the spectra shows the distance between the currently highlighted mass and the rest of masses.
Docs: elsci.io/docs/peaksel...
www.youtube.com/watch?v=QUTk...
#chromatography #hplc #lcms
How to build an #LCMS data processing & storage software: peaksel.elsci.io/a/elsci/post...
Designing HPLC data management software
:toc: left
This is a start of the series of posts about Peaksel architecture - we’d like to share t
peaksel.elsci.io
November 26, 2025 at 1:02 PM
How to build an #LCMS data processing & storage software: peaksel.elsci.io/a/elsci/post...
How long does it take to extract a wavelength in a batch with a DAD/PDA? Around a second. Simple things should be easy to accomplish.
Try it out:
- Website: elsci.io/peaksel/
- Cloud version: peaksel.elsci.io
#chromatography #lcms #hplc
Try it out:
- Website: elsci.io/peaksel/
- Cloud version: peaksel.elsci.io
#chromatography #lcms #hplc
November 18, 2025 at 8:38 AM
How long does it take to extract a wavelength in a batch with a DAD/PDA? Around a second. Simple things should be easy to accomplish.
Try it out:
- Website: elsci.io/peaksel/
- Cloud version: peaksel.elsci.io
#chromatography #lcms #hplc
Try it out:
- Website: elsci.io/peaksel/
- Cloud version: peaksel.elsci.io
#chromatography #lcms #hplc
This year we added some cool features to easier identify unknown peaks, overlay chromatograms, FAIRitize #HPLC, etc. See the summary of the latest release with (moving) pictures: elsci.io/docs/peaksel... 🥳
#chromatography #massspec
#chromatography #massspec
Release notes: October 2025 :: Elsci
elsci.io
November 8, 2025 at 7:56 AM
This year we added some cool features to easier identify unknown peaks, overlay chromatograms, FAIRitize #HPLC, etc. See the summary of the latest release with (moving) pictures: elsci.io/docs/peaksel... 🥳
#chromatography #massspec
#chromatography #massspec
The first ever study that exposes live #Chromatography and #MassSpec data that you can play with yourself: pubs.rsc.org/en/content/a... 😎
Precipitation-first synthesis and deep profiling of a 1200-member acrylamide library for covalent drug discovery
Screening libraries of low molecular weight (LMW) compounds are foundational in early-stage drug discovery. However, the parallel synthesis of milligram-scale large libraries – especially for covalent...
pubs.rsc.org
November 7, 2025 at 2:36 PM
The first ever study that exposes live #Chromatography and #MassSpec data that you can play with yourself: pubs.rsc.org/en/content/a... 😎
Types of high-throughput #chromatography / #MassSpectrometry
And most of them are supported on the web now: elsci.io/docs/peaksel...
And most of them are supported on the web now: elsci.io/docs/peaksel...
November 6, 2025 at 3:12 PM
Types of high-throughput #chromatography / #MassSpectrometry
And most of them are supported on the web now: elsci.io/docs/peaksel...
And most of them are supported on the web now: elsci.io/docs/peaksel...
When you check experimental results on your way to work... This isn't science fiction, anyone can do this now: peaksel.elsci.io
#lcms #hplc #chromatography #massspec
#lcms #hplc #chromatography #massspec
November 5, 2025 at 7:42 AM
When you check experimental results on your way to work... This isn't science fiction, anyone can do this now: peaksel.elsci.io
#lcms #hplc #chromatography #massspec
#lcms #hplc #chromatography #massspec
We have released a #chemistry whiteboard to draw presentations, synthetic routes, diagrams and keep the project status. Look at this beauty: molbrett.elsci.io
#drugdiscovery #materialscience #science
#drugdiscovery #materialscience #science
July 1, 2025 at 2:48 PM
We have released a #chemistry whiteboard to draw presentations, synthetic routes, diagrams and keep the project status. Look at this beauty: molbrett.elsci.io
#drugdiscovery #materialscience #science
#drugdiscovery #materialscience #science
See unknown mass on mass spectrum? See how Peaksel helps identifying them: elsci.io/docs/peaksel...
#hplc #lcms #massspectrometry #chromatography #analyticalchemistry #chemistry
#hplc #lcms #massspectrometry #chromatography #analyticalchemistry #chemistry
May 21, 2025 at 11:53 AM
See unknown mass on mass spectrum? See how Peaksel helps identifying them: elsci.io/docs/peaksel...
#hplc #lcms #massspectrometry #chromatography #analyticalchemistry #chemistry
#hplc #lcms #massspectrometry #chromatography #analyticalchemistry #chemistry
In many companies synthetic chemists don't have access to the analytical data. How do you fix it? Here's the fix: elsci.io/peaksel/
And the cloud version of the fix: peaksel.elsci.io
#chromatography #hplc #massspectrometry #massspec #analyticalchemistry
And the cloud version of the fix: peaksel.elsci.io
#chromatography #hplc #massspectrometry #massspec #analyticalchemistry
May 2, 2025 at 12:42 PM
In many companies synthetic chemists don't have access to the analytical data. How do you fix it? Here's the fix: elsci.io/peaksel/
And the cloud version of the fix: peaksel.elsci.io
#chromatography #hplc #massspectrometry #massspec #analyticalchemistry
And the cloud version of the fix: peaksel.elsci.io
#chromatography #hplc #massspectrometry #massspec #analyticalchemistry
Now you can store massive amounts of #HPLC in cloud object storages: elsci.io/docs/peaksel...
#chromatography #massspectrometry #massspec #analyticalchemistry
#chromatography #massspectrometry #massspec #analyticalchemistry
Keep HPLC data in S3 (AWS, Google Cloud, Azure, etc) :: Elsci
elsci.io
April 25, 2025 at 12:18 PM
Now you can store massive amounts of #HPLC in cloud object storages: elsci.io/docs/peaksel...
#chromatography #massspectrometry #massspec #analyticalchemistry
#chromatography #massspectrometry #massspec #analyticalchemistry
Peaksel now allows submitting your own chromatograms. You're not limited by the build-in capabilities of the software anymore: elsci.io/docs/peaksel...
As usual you can do this from within your own scripts.
#hplc #lcms #chromatography #massspectrometry #massspec #drugdiscovery #materiascience
As usual you can do this from within your own scripts.
#hplc #lcms #chromatography #massspectrometry #massspec #drugdiscovery #materiascience
March 26, 2025 at 12:04 PM
Peaksel now allows submitting your own chromatograms. You're not limited by the build-in capabilities of the software anymore: elsci.io/docs/peaksel...
As usual you can do this from within your own scripts.
#hplc #lcms #chromatography #massspectrometry #massspec #drugdiscovery #materiascience
As usual you can do this from within your own scripts.
#hplc #lcms #chromatography #massspectrometry #massspec #drugdiscovery #materiascience
We’ve integrated with Open Reaction Database (~1.5 million of unique molecules in ~2.5 million reactions)! Enter a structure, find in which reactions it was spotted and get the details: meve.elsci.io. It's public and is free for everyone.
#drugdiscovery #materialscience #chemistry #cheminformatics
#drugdiscovery #materialscience #chemistry #cheminformatics
March 20, 2025 at 10:52 AM
We’ve integrated with Open Reaction Database (~1.5 million of unique molecules in ~2.5 million reactions)! Enter a structure, find in which reactions it was spotted and get the details: meve.elsci.io. It's public and is free for everyone.
#drugdiscovery #materialscience #chemistry #cheminformatics
#drugdiscovery #materialscience #chemistry #cheminformatics
New cool feature: user-defined properties for your #HPLC injections (reaction conditions, labels, calculations) with the HPLC data: elsci.io/docs/peaksel...
#lcms #massspectrometry #massspec #drugdiscovery #analyticalchemistry #chromatography
#lcms #massspectrometry #massspec #drugdiscovery #analyticalchemistry #chromatography
March 7, 2025 at 10:17 PM
New cool feature: user-defined properties for your #HPLC injections (reaction conditions, labels, calculations) with the HPLC data: elsci.io/docs/peaksel...
#lcms #massspectrometry #massspec #drugdiscovery #analyticalchemistry #chromatography
#lcms #massspectrometry #massspec #drugdiscovery #analyticalchemistry #chromatography
It costs 10$ to process and store months worth of your LCMS in the cloud. Too much data and too few people? Choose the on-prem installation instead: elsci.io/peaksel/buy....
#hplc #chromatography #massspec #massspectrometry #drugdiscovery
Designed by Freepik: www.freepik.com/free-vector/...
#hplc #chromatography #massspec #massspectrometry #drugdiscovery
Designed by Freepik: www.freepik.com/free-vector/...
March 3, 2025 at 1:53 PM
It costs 10$ to process and store months worth of your LCMS in the cloud. Too much data and too few people? Choose the on-prem installation instead: elsci.io/peaksel/buy....
#hplc #chromatography #massspec #massspectrometry #drugdiscovery
Designed by Freepik: www.freepik.com/free-vector/...
#hplc #chromatography #massspec #massspectrometry #drugdiscovery
Designed by Freepik: www.freepik.com/free-vector/...
What is pretty and can extract >1000 #chromatograms in 5 seconds? Peaksel!
See how you can:
- Upload spreadsheets with analytes to the whole batch: elsci.io/docs/peaksel...
- Or do the same from within your scripts: github.com/elsci-io/pea...
#hplc #lcms #massspec #massspectrometry #chromatography
See how you can:
- Upload spreadsheets with analytes to the whole batch: elsci.io/docs/peaksel...
- Or do the same from within your scripts: github.com/elsci-io/pea...
#hplc #lcms #massspec #massspectrometry #chromatography
February 27, 2025 at 5:12 PM
What is pretty and can extract >1000 #chromatograms in 5 seconds? Peaksel!
See how you can:
- Upload spreadsheets with analytes to the whole batch: elsci.io/docs/peaksel...
- Or do the same from within your scripts: github.com/elsci-io/pea...
#hplc #lcms #massspec #massspectrometry #chromatography
See how you can:
- Upload spreadsheets with analytes to the whole batch: elsci.io/docs/peaksel...
- Or do the same from within your scripts: github.com/elsci-io/pea...
#hplc #lcms #massspec #massspectrometry #chromatography
Want to see all large co-elutions in your #chromatography in library experiments? We added a new visualization to our template for this: peaksel.elsci.io/a/elsci/batc...
And here’s how you create such visualizations: elsci.io/docs/peaksel...
#massspectrometry #lcms #hplc #massspec #drugdiscovery
And here’s how you create such visualizations: elsci.io/docs/peaksel...
#massspectrometry #lcms #hplc #massspec #drugdiscovery
February 24, 2025 at 6:41 AM
Want to see all large co-elutions in your #chromatography in library experiments? We added a new visualization to our template for this: peaksel.elsci.io/a/elsci/batc...
And here’s how you create such visualizations: elsci.io/docs/peaksel...
#massspectrometry #lcms #hplc #massspec #drugdiscovery
And here’s how you create such visualizations: elsci.io/docs/peaksel...
#massspectrometry #lcms #hplc #massspec #drugdiscovery
If many compounds are synthesized, #LCMS can be a problem - the peaks are all over the RT. But check this out: peaksel.elsci.io/a/elsci/batc...
Explanation: elsci.io/docs/peaksel...
#hplc #massspectrometry #massspec #chromatography #drugdiscovery
Explanation: elsci.io/docs/peaksel...
#hplc #massspectrometry #massspec #chromatography #drugdiscovery
February 20, 2025 at 4:57 PM
If many compounds are synthesized, #LCMS can be a problem - the peaks are all over the RT. But check this out: peaksel.elsci.io/a/elsci/batc...
Explanation: elsci.io/docs/peaksel...
#hplc #massspectrometry #massspec #chromatography #drugdiscovery
Explanation: elsci.io/docs/peaksel...
#hplc #massspectrometry #massspec #chromatography #drugdiscovery
For those who’re into chromatography data systems or are simply curious about software development approaches in general, we’re sharing the architecture of our Peaksel: peaksel.elsci.io/a/elsci/post...
#chromatography #hplc #massspectrometry #massspec #drugdiscovery
#chromatography #hplc #massspectrometry #massspec #drugdiscovery
February 18, 2025 at 7:33 AM
For those who’re into chromatography data systems or are simply curious about software development approaches in general, we’re sharing the architecture of our Peaksel: peaksel.elsci.io/a/elsci/post...
#chromatography #hplc #massspectrometry #massspec #drugdiscovery
#chromatography #hplc #massspectrometry #massspec #drugdiscovery
Ever wondered how #MassSpec software calculates isotope matching score? This kind of problem is an example of a more generic topic called Similarity Measure. Basically you have a template pattern and a measured signal where you want to find it in.
peaksel.elsci.io/a/elsci/post...
peaksel.elsci.io/a/elsci/post...
February 6, 2025 at 3:02 AM
Ever wondered how #MassSpec software calculates isotope matching score? This kind of problem is an example of a more generic topic called Similarity Measure. Basically you have a template pattern and a measured signal where you want to find it in.
peaksel.elsci.io/a/elsci/post...
peaksel.elsci.io/a/elsci/post...
Want to outsource #chromatography processing? We have the technology to process large volumes of chromatography quickly. Now we want to show it off: elsci.io/outsource-ch...
#massspectrometry #analyticalchemistry #chemistry #massspec #lcmd #hplc
#massspectrometry #analyticalchemistry #chemistry #massspec #lcmd #hplc
February 3, 2025 at 11:07 AM
Want to outsource #chromatography processing? We have the technology to process large volumes of chromatography quickly. Now we want to show it off: elsci.io/outsource-ch...
#massspectrometry #analyticalchemistry #chemistry #massspec #lcmd #hplc
#massspectrometry #analyticalchemistry #chemistry #massspec #lcmd #hplc
Usually there are several leaders in the department/company who know #chromatography and the detectors at the expert level. And others need guidance. Templates are a good way of spreading that expertise.
Peaksel Hub: peaksel.elsci.io
#massspectrometry #massspec #hplc #lcms #drugdiscovery
Peaksel Hub: peaksel.elsci.io
#massspectrometry #massspec #hplc #lcms #drugdiscovery
January 29, 2025 at 7:17 AM
Usually there are several leaders in the department/company who know #chromatography and the detectors at the expert level. And others need guidance. Templates are a good way of spreading that expertise.
Peaksel Hub: peaksel.elsci.io
#massspectrometry #massspec #hplc #lcms #drugdiscovery
Peaksel Hub: peaksel.elsci.io
#massspectrometry #massspec #hplc #lcms #drugdiscovery
Why should only synthetic chemists have ELNs, where they describe their experiments?! Introducing new functionality for analytical chemists - 𝐏𝐞𝐚𝐤𝐬𝐞𝐥 𝐏𝐨𝐬𝐭𝐬!
Here's the first public post: peaksel.elsci.io/a/elsci/post...
#chromatography #lcms #hplc #analyticalchemistry #massspec #massspectrometry
Here's the first public post: peaksel.elsci.io/a/elsci/post...
#chromatography #lcms #hplc #analyticalchemistry #massspec #massspectrometry
January 27, 2025 at 8:28 PM
Why should only synthetic chemists have ELNs, where they describe their experiments?! Introducing new functionality for analytical chemists - 𝐏𝐞𝐚𝐤𝐬𝐞𝐥 𝐏𝐨𝐬𝐭𝐬!
Here's the first public post: peaksel.elsci.io/a/elsci/post...
#chromatography #lcms #hplc #analyticalchemistry #massspec #massspectrometry
Here's the first public post: peaksel.elsci.io/a/elsci/post...
#chromatography #lcms #hplc #analyticalchemistry #massspec #massspectrometry