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...

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...

Thank you!!!! We are doing our best to push the next version out which implements inorganic chemistry! #molecularrepresentation #fairdata

Thank you to the great team and thanks for funding by @volkswagenstiftung.bsky.social and @nfdi4chem.de and @daliaeducation.bsky.social ! #molecularrepresentation #cheminformatics #FAIRdata

The new InChI version (1.07) will come out next week! @nfdi4chem.de
Thanks to funding from VolkswagenStiftung!
Stay tuned! #chemoinformatics #molecularrepresentation #chemsky