A most excellent molecule with which to conclude the week #SynChem #BB #MedChem #DrugDesign #DrugDiscovery #cheminformatics #chemsky 🧪
enaminestore.com/catalog/EN30...
@pwk2024.bsky.social
@pwk2024.bsky.socialA most excellent molecule with which to conclude the week #SynChem #BB #MedChem #DrugDesign #DrugDiscovery #cheminformatics #chemsky 🧪
enaminestore.com/catalog/EN30...
@pwk2024.bsky.socialOpportunity for computational chemist at Bristol Myers Squibb (San Diego CA USA) ref: R1607160 #CompChem #cheminformatics #ML #ChemJobs #chemsky 🧪
bristolmyerssquibb.wd5.myworkdayjobs.com/en-US/BMS/jo...
@alvascience.bsky.socialChemical data, a modelling question or a workflow to improve?
Alvascience offers cheminformatics consulting, QSAR modelling and custom scientific software development.
Tell us about your project: alvascience.com/services/
@kohulanr.bsky.socialOrthonym v1.0.5 is now on conda-forge 🎉
Verified IUPAC names, by rule. OPSIN reads back every name; if it doesn't match, Orthonym declines.
🌐 conda install -c conda-forge orthonym
#ChemSky #Cheminformatics #OpenScience #FAIR #Chemistry #OpenSource #CompChem
@alvascience.bsky.social#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips #chemsky
Hyper-Wiener-like index has been proposed in "Multivariate Analysis of Molecular Descriptors. In Statistical Modelling of Molecular..." doi.org/10.1002/9783...
Check #alvaDesc at: alvascience.com/alvadesc/
@pwk2024.bsky.socialOpportunity for computational chemist at Isomorphic Labs (Cambridge MA USA) #CompChem #cheminformatics #CADD #ML #AI #ChemJobs #chemsky 🧪
job-boards.greenhouse.io/isomorphicla...
@kohulanr.bsky.socialThe new InChI Web App 🧪 is now live, bringing interactive structure conversion, layer inspection, and version comparison all into one convenient location!
Fully open as always!
🌐 Try: iupac-inchi.github.io/InChI-Web-De...
#InChI #Cheminformatics #OpenScience #FAIR #Chemistry #OpenSource #CompChem
@alvascience.bsky.social#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips #chemsky
Balaban-like index has been proposed in "Multivariate Analysis of Molecular Descriptors. In Statistical Modelling of Molecular..." doi.org/10.1002/9783...
Check #alvaDesc at: alvascience.com/alvadesc/
@alvascience.bsky.social#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips #chemsky
Randic-like index has been proposed in "Multivariate Analysis of Molecular Descriptors. In Statistical Modelling of Molecular..." doi.org/10.1002/9783...
Check #alvaDesc at: alvascience.com/alvadesc/
@kohulanr.bsky.socialWe always wanted to build this. So we did.
Meet Orthonym: verified IUPAC names for chemical structures. Written by rule, read back by OPSIN, and honest about its confidence. Free and open source.
@pwk2024.bsky.socialA most excellent molecule (and chemist) with which to conclude the week #SynChem #BB #MedChem #DrugDesign #DrugDiscovery #cheminformatics #chemsky 🧪
enaminestore.com/catalog/EN30...
@alvascience.bsky.socialMolecular descriptors remain competitive in the Mol-JEPA preprint.
On public competition splits, TabICLv2 + alvaDesc achieved higher MAE and Wilcoxon win rates than Mol-JEPA, while Mol-JEPA led on R².
Congratulations to Rottach and co-authors!
arxiv.org/abs/2608.226...
@alvascience.bsky.social#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips #chemsky
Harary-like index has been proposed in "Multivariate Analysis of Molecular Descriptors. In Statistical Modelling of..." doi.org/10.1002/9783...
Check #alvaDesc at: alvascience.com/alvadesc/
@alvascience.bsky.social#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips #chemsky
Wiener-like index has been proposed in "Multivariate Analysis of Molecular Descriptors" doi.org/10.1002/9783...
Check #alvaDesc at: alvascience.com/alvadesc/
@pwk2024.bsky.socialOpportunities (2) for computational chemists at Johnson & Johnson (Beerse Belgium | Spring House PA USA | La Jolla CA USA) ref: R-100091 | closing: 11-Oct-2026 #CADD #CompChem #cheminformatics #ChemJobs #chemsky 🧪
jj.wd5.myworkdayjobs.com/JJ/job/Beers...
@alvascience.bsky.social#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips #chemsky
Spanning tree number has been proposed in "The Laplacian Matrix in Chemistry" via
@pubs.acs.org doi.org/10.1021/ci00...
Check #alvaDesc at: alvascience.com/alvadesc/
@pwk2024.bsky.socialA most excellent molecule with which to conclude the week #SynChem #BB #MedChem #DrugDesign #DrugDiscovery #cheminformatics #chemsky 🧪
enaminestore.com/catalog/EN30...
@alvascience.bsky.socialNew 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...
@egonw.mastodon.social.ap.brid.gyRE: https://hessen.social/@BeilsteinInstitut/117326392794320576
wonderful new tool in our cheminf box
@alvascience.bsky.social📄 Quick Reference Sheet for #alvaSketcher
Whether you're a new user or just need a quick reminder, our one-page Quick Reference Sheet summarizes the essential tools and shortcuts for drawing and editing molecular structures in alvaSketcher.
