Grilled Cheese

ExploreLog inSign up
Terms of UsePrivacy PolicyCommunity StandardsHelpGet the app

Grilled Cheese is a product of Village Compute

Version devBuilt at: 2026-10-10 01:38:52 EDT

Explore

PostsPeople
LatestRanked
@intconfchemstr.social.edu.nl.ap.brid.gySep 26, 2026, 6:43 AM

the 4th paper of the #iccs2025 collection was published this summer: "Transformers for molecular property prediction: domain adaptation efficiently improves performance" https://doi.org/10.1186/s13321-026-01252-z

#deepLearning #transformer #chembl #qspr […]

[Original post on social.edu.nl]

Figure 1: Data summary and distributions of the seven investigated ADME endpoints. The boxplots are shown per histogram to highlight the location of the different quartiles and datapoints that would be seen as outliers. The plots with two distributions show the presence of censored labels which are not suitable for being used directly in a regression model. Therefore, the two distributions show the original data (blue) and the actual data (orange) used during evaluation
@alvascience.bsky.socialSep 25, 2026, 7:34 AM

New research using alvaDesc:

Pydi et al. combine experimental screening with AquaBoxIL QSPR biodegradability predictions based on alvaDesc molecular descriptors to investigate new potential pyrethroid synergists.
doi.org/10.1021/acso...

#alvaDesc #QSPR #Cheminformatics

@kroyindia.bsky.socialSep 18, 2026, 2:23 PM

New Paper Published from DTC Laboratory, Jadavpur University: @pubs.acs.org !

Environ. Sci. Technol. (2026) (Impact Factor 12.2)

doi.org/10.1021/acs....

#Persistence #Bioaccumulation #SoilSorption #QSPR #RASPR #Cheminformatics #Chemometrics #MachineLearning #PredictiveTool

@engenergy.bsky.socialSep 11, 2026, 1:16 AM

🤖⛽ Meet FuelProp-LM—a language-model-based framework that predicts 10 fuel properties directly from molecular SMILES strings.

🔗https://rdcu.be/4Xxx7s2Z6Lta

#AI #FuelDesign #Combustion #QSPR #Energy

@alvascience.bsky.socialSep 9, 2026, 12:50 PM

New paper using alvaDesc and alvaModel 🧪

A recent QSPR study combined experimental PAMPA measurements with 5,666 descriptors calculated by alvaDesc and models developed with alvaModel to investigate skin permeability and
retention of chalcones.

📄 doi.org/10.17344/acs...

#QSAR #QSPR #chemsky