🔊How reliable, reproducible and reusable are your computational chemistry data?
Check out our recent perspective on that topic. #compchem #chemicaldata #dataforml @chemistry-tuw.bsky.social @tuwien.at
Check out our recent perspective on that topic. #compchem #chemicaldata #dataforml @chemistry-tuw.bsky.social @tuwien.at
Perspective article now online:
Generating reliable and reproducible data for reusable quantum chemical reaction free-energy profiles by Maren Podewitz @podewitzlab.bsky.social
www.nature.com/articles/s44... ($)
#Chemsky
Generating reliable and reproducible data for reusable quantum chemical reaction free-energy profiles by Maren Podewitz @podewitzlab.bsky.social
www.nature.com/articles/s44... ($)
#Chemsky
Generating reliable and reproducible data for reusable quantum chemical reaction free-energy profiles - Nature Synthesis
The guidance of experimental studies with computational exploration of reaction mechanisms has become a key tool in chemistry. This Perspective highlights challenges and best practices for generating ...
www.nature.com
July 30, 2025 at 7:14 AM
🔊How reliable, reproducible and reusable are your computational chemistry data?
Check out our recent perspective on that topic. #compchem #chemicaldata #dataforml @chemistry-tuw.bsky.social @tuwien.at
Check out our recent perspective on that topic. #compchem #chemicaldata #dataforml @chemistry-tuw.bsky.social @tuwien.at
News from the @inchi-trust.bsky.social : check out here: www.linkedin.com/feed/update/... #FAIRdata #cheminformatics
#inchi #cheminformatics #fairdata #iupac #openscience #chemicaldata #standards | Sonja Herres-Pawlis
Two weeks ago, we had the pleasure of hosting the Technical InChI Meeting (March 25–26), bringing together contributors from across the global InChI community - both in person and online.
Over two int...
www.linkedin.com
April 7, 2026 at 8:26 PM
News from the @inchi-trust.bsky.social : check out here: www.linkedin.com/feed/update/... #FAIRdata #cheminformatics
April 17, 2024 at 11:08 AM
OSHA sets 30,000 as the short-term exposure limit and 5,000 as the long-term limit for whatever that's worth www.osha.gov/chemicaldata...
June 26, 2025 at 6:59 PM
OSHA sets 30,000 as the short-term exposure limit and 5,000 as the long-term limit for whatever that's worth www.osha.gov/chemicaldata...
New developments in the #InChI, please check out here: www.linkedin.com/feed/update/...
#molecularstandards #FAIRdata @inchi-trust.bsky.social
Thank you to @nfdi4chem.de @beilsteininstitut.hessen.social.ap.brid.gy and @volkswagenstiftung.de for support!
#molecularstandards #FAIRdata @inchi-trust.bsky.social
Thank you to @nfdi4chem.de @beilsteininstitut.hessen.social.ap.brid.gy and @volkswagenstiftung.de for support!
#inchi #cheminformatics #molecularinformatics #inorganicchemistry #digitalchemistry #fairdata #openscience #chemicaldata #iupac | Sonja Herres-Pawlis
🎆***Advancing the Future of Chemical Identifiers: Technical InChI Meeting on Molecular Inorganics and Stereochemistry*** 🎆
On 1–2 June 2026, experts from academia, industry, software development, an...
www.linkedin.com
June 9, 2026 at 7:58 PM
New developments in the #InChI, please check out here: www.linkedin.com/feed/update/...
#molecularstandards #FAIRdata @inchi-trust.bsky.social
Thank you to @nfdi4chem.de @beilsteininstitut.hessen.social.ap.brid.gy and @volkswagenstiftung.de for support!
#molecularstandards #FAIRdata @inchi-trust.bsky.social
Thank you to @nfdi4chem.de @beilsteininstitut.hessen.social.ap.brid.gy and @volkswagenstiftung.de for support!
Even left-right-left eye movement is additional effort for customers which makes them read less about our company’s offer.
#startup #business #companywebsite #customeracquisition #customerbehavior #chemistry #chemicaldata #datasystem #science #laboratoryworkflow #labwork #formulationworkflows
#startup #business #companywebsite #customeracquisition #customerbehavior #chemistry #chemicaldata #datasystem #science #laboratoryworkflow #labwork #formulationworkflows
June 8, 2026 at 5:32 PM
Even left-right-left eye movement is additional effort for customers which makes them read less about our company’s offer.
#startup #business #companywebsite #customeracquisition #customerbehavior #chemistry #chemicaldata #datasystem #science #laboratoryworkflow #labwork #formulationworkflows
#startup #business #companywebsite #customeracquisition #customerbehavior #chemistry #chemicaldata #datasystem #science #laboratoryworkflow #labwork #formulationworkflows
A molecule can be described with different names. The tool links structures thus making it easier to connect #ChemicalData across your document collection. (3/5)
September 1, 2026 at 7:12 AM
A molecule can be described with different names. The tool links structures thus making it easier to connect #ChemicalData across your document collection. (3/5)
Please check this blog from our colleagues at ChEBI!
The "new ChEBI", ChEBI’s beta version, is now out 😎
www.ebi.ac.uk/chebi/beta/
🔍 Want to know what’s new? Read about the new developments here: chembl.blogspot.com/2025/07/rede...
#ChEBI #Bioinformatics #BetaLaunch #ChemicalData #OpenScience
The "new ChEBI", ChEBI’s beta version, is now out 😎
www.ebi.ac.uk/chebi/beta/
🔍 Want to know what’s new? Read about the new developments here: chembl.blogspot.com/2025/07/rede...
#ChEBI #Bioinformatics #BetaLaunch #ChemicalData #OpenScience
July 11, 2025 at 11:40 AM
Please check this blog from our colleagues at ChEBI!
The "new ChEBI", ChEBI’s beta version, is now out 😎
www.ebi.ac.uk/chebi/beta/
🔍 Want to know what’s new? Read about the new developments here: chembl.blogspot.com/2025/07/rede...
#ChEBI #Bioinformatics #BetaLaunch #ChemicalData #OpenScience
The "new ChEBI", ChEBI’s beta version, is now out 😎
www.ebi.ac.uk/chebi/beta/
🔍 Want to know what’s new? Read about the new developments here: chembl.blogspot.com/2025/07/rede...
#ChEBI #Bioinformatics #BetaLaunch #ChemicalData #OpenScience
AlvaMolecule has been used in "In silico identification of Nipah virus protein inhibitors from secondary metabolites of medicinal plants using a high-throughput.." doi.org/10.1080/0739...
Check alvaMolecule at: alvascience.com/alvamolecule/
#datacuration #chemicaldata #cheminformatics #chemsky
Check alvaMolecule at: alvascience.com/alvamolecule/
#datacuration #chemicaldata #cheminformatics #chemsky
In silico identification of Nipah virus protein inhibitors from secondary metabolites of medicinal plants using a high-throughput virtual screening approach
The Nipah virus (NiV), a highly pathogenic zoonotic virus of the Paramyxoviridae family, poses significant threats with its alarming mortality rates and pandemic potential. Despite historical cases...
doi.org
February 11, 2025 at 1:58 PM
AlvaMolecule has been used in "In silico identification of Nipah virus protein inhibitors from secondary metabolites of medicinal plants using a high-throughput.." doi.org/10.1080/0739...
Check alvaMolecule at: alvascience.com/alvamolecule/
#datacuration #chemicaldata #cheminformatics #chemsky
Check alvaMolecule at: alvascience.com/alvamolecule/
#datacuration #chemicaldata #cheminformatics #chemsky
🚀 ECHA CHEM becomes the central home for regulatory information!
ECHA has updated the timeline for the transition from ECHA’s Search for chemicals database to ECHA CHEM.
Explore the updated timeline and learn more: https://fcld.ly/cygw92x
#ECHA #ECHACHEM #ChemicalData
ECHA has updated the timeline for the transition from ECHA’s Search for chemicals database to ECHA CHEM.
Explore the updated timeline and learn more: https://fcld.ly/cygw92x
#ECHA #ECHACHEM #ChemicalData
June 30, 2026 at 11:05 AM
🚀 ECHA CHEM becomes the central home for regulatory information!
ECHA has updated the timeline for the transition from ECHA’s Search for chemicals database to ECHA CHEM.
Explore the updated timeline and learn more: https://fcld.ly/cygw92x
#ECHA #ECHACHEM #ChemicalData
ECHA has updated the timeline for the transition from ECHA’s Search for chemicals database to ECHA CHEM.
Explore the updated timeline and learn more: https://fcld.ly/cygw92x
#ECHA #ECHACHEM #ChemicalData
Methyl methacrylate boils at 214 F. Flammability is the main concern; if it burns, it will burn; lots of carbon in that tank.
www.osha.gov/chemicaldata...
www.osha.gov/chemicaldata...
METHYL METHACRYLATE | Occupational Safety and Health Administration
www.osha.gov
May 25, 2026 at 5:52 AM
Methyl methacrylate boils at 214 F. Flammability is the main concern; if it burns, it will burn; lots of carbon in that tank.
www.osha.gov/chemicaldata...
www.osha.gov/chemicaldata...
Why is there a need for OCSR tools in research today? Swipe to know more!
#OCSR #chemistry #DataRevival #imagescanning #labjournal #chemicalstructure #chemicaldata #imageprocessing
#OCSR #chemistry #DataRevival #imagescanning #labjournal #chemicalstructure #chemicaldata #imageprocessing
August 26, 2024 at 2:39 PM
Why is there a need for OCSR tools in research today? Swipe to know more!
#OCSR #chemistry #DataRevival #imagescanning #labjournal #chemicalstructure #chemicaldata #imageprocessing
#OCSR #chemistry #DataRevival #imagescanning #labjournal #chemicalstructure #chemicaldata #imageprocessing
#bioterio #esgoto #fixation #components #formalin #formaldehyde #methylalcohol #toxicwaste #ppm
www.osha.gov/chemicaldata...
www.osha.gov/chemicaldata...
www.osha.gov
May 14, 2025 at 11:06 PM