Vote for your favorite mineral in #MinCup25! - Stibnite vs. Perovskite
It's all about how minerals interact with humans as dramatic #stibnite faces off against futuristic #perovskite.
Log InRegister
Quick Links : The Mindat ManualThe Rock H. Currier Digital LibraryMindat Newsletter [Free Download]
Home PageAbout MindatThe Mindat ManualHistory of MindatCopyright StatusWho We AreContact UsAdvertise on Mindat
Donate to MindatCorporate SponsorshipSponsor a PageSponsored PagesMindat AdvertisersAdvertise on Mindat
Learning CenterWhat is a mineral?The most common minerals on earthInformation for EducatorsMindat ArticlesThe ElementsThe Rock H. Currier Digital LibraryGeologic Time
Minerals by PropertiesMinerals by ChemistryAdvanced Locality SearchRandom MineralRandom LocalitySearch by minIDLocalities Near MeSearch ArticlesSearch GlossaryMore Search Options
Search For:
Mineral Name:
Locality Name:
Keyword(s):
 
The Mindat ManualAdd a New PhotoRate PhotosLocality Edit ReportCoordinate Completion ReportAdd Glossary Item
Mining CompaniesStatisticsUsersMineral MuseumsClubs & OrganizationsMineral Shows & EventsThe Mindat DirectoryDevice SettingsThe Mineral Quiz
Photo SearchPhoto GalleriesSearch by ColorNew Photos TodayNew Photos YesterdayMembers' Photo GalleriesPast Photo of the Day GalleryPhotography

Tahıl, Gökhan, Delorme, Fabien, Le Berre, Daniel, Monflier, Éric, Sayede, Adlane, Tilloy, Sébastien (2024) Stereoisomers Are Not Machine Learning’s Best Friends. Journal of Chemical Information and Modeling, 64 (14) 5451-5469 doi:10.1021/acs.jcim.4c00318

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleStereoisomers Are Not Machine Learning’s Best Friends
JournalJournal of Chemical Information and Modeling
AuthorsTahıl, GökhanAuthor
Delorme, FabienAuthor
Le Berre, DanielAuthor
Monflier, ÉricAuthor
Sayede, AdlaneAuthor
Tilloy, SébastienAuthor
Year2024 (July 22)Volume64
Page(s)5451-5469Issue14
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/acs.jcim.4c00318Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID17506008Long-form Identifiermindat:1:5:17506008:7
GUID0
Full ReferenceTahıl, Gökhan, Delorme, Fabien, Le Berre, Daniel, Monflier, Éric, Sayede, Adlane, Tilloy, Sébastien (2024) Stereoisomers Are Not Machine Learning’s Best Friends. Journal of Chemical Information and Modeling, 64 (14) 5451-5469 doi:10.1021/acs.jcim.4c00318
Plain TextTahıl, Gökhan, Delorme, Fabien, Le Berre, Daniel, Monflier, Éric, Sayede, Adlane, Tilloy, Sébastien (2024) Stereoisomers Are Not Machine Learning’s Best Friends. Journal of Chemical Information and Modeling, 64 (14) 5451-5469 doi:10.1021/acs.jcim.4c00318
In(2024, July) Journal of Chemical Information and Modeling Vol. 64 (14) American Chemical Society (ACS)

See Also

These are possibly similar items as determined by title/reference text matching only.

Sayede, Adlane, Ferreira, Michel, Bricout, Hervé, Tilloy, Sébastien, Monflier, Eric (2011) Interaction of water-soluble triphenylphosphines with β-cyclodextrin: a quantum chemistry study. Journal of Physical Organic Chemistry, 24 (12). 1129-1135 doi:10.1002/poc.1833
Devore, Daniel P., Shuford, Kevin L. (2024) Data and Molecular Fingerprint-Driven Machine Learning Approaches to Halogen Bonding. Journal of Chemical Information and Modeling, 64 (21). doi:10.1021/acs.jcim.4c01427
Atasi, Chureh, Kern, Joseph, Ramprasad, Rampi (2024) Design of Recyclable Plastics with Machine Learning and Genetic Algorithm. Journal of Chemical Information and Modeling, 64 (24). doi:10.1021/acs.jcim.4c01530
Zhong, Guolun, Deng, Lei (2024) ACPScanner: Prediction of Anticancer Peptides by Integrated Machine Learning Methodologies. Journal of Chemical Information and Modeling, 64 (3) 1092-1104 doi:10.1021/acs.jcim.3c01860
Merz, Kenneth M., Wei, Guo-Wei, Zhu, Feng (2024) Editorial: Machine Learning in Bio-cheminformatics. Journal of Chemical Information and Modeling, 64 (7) 2125-2128 doi:10.1021/acs.jcim.4c00444
Schifferstein, Jordy, Bernatavicius, Andrius, Janssen, Antonius P.A. (2024) Docking-Informed Machine Learning for Kinome-wide Affinity Prediction. Journal of Chemical Information and Modeling, 64 (24). doi:10.1021/acs.jcim.4c01260
Jung, Son Gyo, Jung, Guwon, Cole, Jacqueline M. (2024) Predictive Modeling of High-Entropy Alloys and Amorphous Metallic Alloys Using Machine Learning. Journal of Chemical Information and Modeling, 64 (19). doi:10.1021/acs.jcim.4c00873
Jung, Son Gyo, Jung, Guwon, Cole, Jacqueline M. (2024) Machine-Learning Predictions of Critical Temperatures from Chemical Compositions of Superconductors. Journal of Chemical Information and Modeling, 64 (19). doi:10.1021/acs.jcim.4c01137
Heid, Esther, Schörghuber, Johannes, Wanzenböck, Ralf, Madsen, Georg K. H. (2024) Spatially Resolved Uncertainties for Machine Learning Potentials. Journal of Chemical Information and Modeling, 64 (16). doi:10.1021/acs.jcim.4c00904
Sinha, Prashant, Joshi, Ablokit, Dey, Rik, Misra, Shikhar (2024) Machine-Learning-Assisted Materials Discovery from Electronic Band Structure. Journal of Chemical Information and Modeling, 64 (22). doi:10.1021/acs.jcim.4c01329
Karmakar, Tarak, Soares, Thereza A., Merz, Kenneth M. (2024) Enhancing Coarse-Grained Models through Machine Learning. Journal of Chemical Information and Modeling, 64 (8) 2931-2932 doi:10.1021/acs.jcim.4c00537
 
and/or  
Mindat.org is an outreach project of the Hudson Institute of Mineralogy, a 501(c)(3) not-for-profit organization.
Copyright © mindat.org and the Hudson Institute of Mineralogy 1993-2025, except where stated. Most political location boundaries are © OpenStreetMap contributors. Mindat.org relies on the contributions of thousands of members and supporters. Founded in 2000 by Jolyon Ralph.
To cite: Ralph, J., Von Bargen, D., Martynov, P., Zhang, J., Que, X., Prabhu, A., Morrison, S. M., Li, W., Chen, W., & Ma, X. (2025). Mindat.org: The open access mineralogy database to accelerate data-intensive geoscience research. American Mineralogist, 110(6), 833–844. doi:10.2138/am-2024-9486.
Privacy Policy - Terms & Conditions - Contact Us / DMCA issues - Report a bug/vulnerability Current server date and time: September 18, 2025 00:43:55
Go to top of page