The new InChI version (1.07) will come out next week! @nfdi4chem.de
Thanks to funding from VolkswagenStiftung!
Stay tuned! #chemoinformatics #molecularrepresentation #chemsky
Thanks to funding from VolkswagenStiftung!
Stay tuned! #chemoinformatics #molecularrepresentation #chemsky
November 17, 2023 at 11:23 PM
The new InChI version (1.07) will come out next week! @nfdi4chem.de
Thanks to funding from VolkswagenStiftung!
Stay tuned! #chemoinformatics #molecularrepresentation #chemsky
Thanks to funding from VolkswagenStiftung!
Stay tuned! #chemoinformatics #molecularrepresentation #chemsky
Thank you to the great team and thanks for funding by @volkswagenstiftung.bsky.social and @nfdi4chem.de and @daliaeducation.bsky.social ! #molecularrepresentation #cheminformatics #FAIRdata
What an achievement by the team - InChI releases back to 1.03, plus the latest beta now available on github github.com/IUPAC-InChI/... @herreslab.bsky.social
GitHub - IUPAC-InChI/InChI: Main InChI repository
Main InChI repository. Contribute to IUPAC-InChI/InChI development by creating an account on GitHub.
github.com
January 24, 2024 at 9:00 PM
Thank you to the great team and thanks for funding by @volkswagenstiftung.bsky.social and @nfdi4chem.de and @daliaeducation.bsky.social ! #molecularrepresentation #cheminformatics #FAIRdata
#Biosynfoni #molecular #fingerprint
#naturalproducts #discovery
Congrats 👏 🙌 🎉 to Lucina-May Nollen for publishing her MSc Thesis in the Journal of Cheminformatics! 😎
Find out more about our fingerprint in the link here below 👇, and consider using it!
www.linkedin.com/posts/lucina...
#naturalproducts #discovery
Congrats 👏 🙌 🎉 to Lucina-May Nollen for publishing her MSc Thesis in the Journal of Cheminformatics! 😎
Find out more about our fingerprint in the link here below 👇, and consider using it!
www.linkedin.com/posts/lucina...
#naturalproducts #cheminformatics #biosynthesis #machinelearning #molecularrepresentation #research #biosynformatics #biosynfoni | Lucina-May Nollen
Through what lens should our models view molecules?
In cheminformatics, we mostly train our tools using molecular descriptors developed for property and bioactivity prediction. But within Natural Pro...
www.linkedin.com
October 19, 2025 at 7:06 PM
#Biosynfoni #molecular #fingerprint
#naturalproducts #discovery
Congrats 👏 🙌 🎉 to Lucina-May Nollen for publishing her MSc Thesis in the Journal of Cheminformatics! 😎
Find out more about our fingerprint in the link here below 👇, and consider using it!
www.linkedin.com/posts/lucina...
#naturalproducts #discovery
Congrats 👏 🙌 🎉 to Lucina-May Nollen for publishing her MSc Thesis in the Journal of Cheminformatics! 😎
Find out more about our fingerprint in the link here below 👇, and consider using it!
www.linkedin.com/posts/lucina...
Thank you!!!! We are doing our best to push the next version out which implements inorganic chemistry! #molecularrepresentation #fairdata
July 18, 2024 at 7:33 PM
Thank you!!!! We are doing our best to push the next version out which implements inorganic chemistry! #molecularrepresentation #fairdata
ML is accelerating #MaterialsDiscovery but it is energy-intensive. Emilio Nuñez Andrade strikes again this summer with #eMFP, a #MolecularRepresentation that improves performance and supports #sustainable and #scalable #MachineLearning. Pre-print: doi.org/10.26434/che...
Embedded Morgan Fingerprints for more efficient molecular property predictions with machine learning
High-dimensional data arrays in molecular representations pose some significant challenges for Machine Learning applications, including overfitting and computational inefficiency during training. This...
doi.org
June 30, 2025 at 10:08 AM
ML is accelerating #MaterialsDiscovery but it is energy-intensive. Emilio Nuñez Andrade strikes again this summer with #eMFP, a #MolecularRepresentation that improves performance and supports #sustainable and #scalable #MachineLearning. Pre-print: doi.org/10.26434/che...