DEBANJAN RANA
@debanjan_rana
Followers
144
Following
916
Media
0
Statuses
67
Riding the AI Wave! Diverse team of experts of Molecular Machine Learning kicks-off @SPP2363 @dfg_public in national academy @Leopoldina. PhD students, postdocs, PIs from chemistry, informatics, mathematics, engineering. Exciting discussions, great spirit - full sTEAM ahead!😊🚀
1
4
59
JOB ALERT! 🚨MOLECULAR MACHINE LEARNING 2⃣ fully funded PhD positions🚀🎓 are available in the @GloriusGroup associated with the German Priority Program @spp2363 Your profile: - MSc in chemistry (knowledge of computational methods) or data science. - Passion for science. 🙏RT
3
23
89
🚀Unlocking new frontiers in photocatalysis with #AI! Our latest @JACS paper presents a 3⃣-layer screening strategy for accelerated discovery of EnT-catalyzed dearomative cycloadditions!✨ Check this out: https://t.co/3mhITBNimH
#Photocatalysis #AIforScience #OrganicChemistry
pubs.acs.org
Visible-light-mediated energy transfer (EnT) photocatalysis has emerged as a highly appealing strategy for converting planar (hetero)arenes into complex, medicinally relevant, three-dimensional (3D)...
1
6
84
3⃣-Layer Screening Strategy for Accelerated Discovery of Energy Transfer-Catalyzed Dearomative Cycloadditions ☀️⚗️ @J_A_C_S Highlight: ML-enabled substrate mapping as step 1⃣! #AI @GoogleAI
https://t.co/R1lnhtaXlK
pubs.acs.org
Visible-light-mediated energy transfer (EnT) photocatalysis has emerged as a highly appealing strategy for converting planar (hetero)arenes into complex, medicinally relevant, three-dimensional (3D)...
4
18
145
Accelerated Discovery of Energy Transfer-Catalyzed Dearomative Cycloadditions through a Data-Driven Three-Layer Screening Strategy | Journal of the American Chemical Society @GloriusFrank @GloriusGroup
pubs.acs.org
Visible-light-mediated energy transfer (EnT) photocatalysis has emerged as a highly appealing strategy for converting planar (hetero)arenes into complex, medicinally relevant, three-dimensional (3D)...
0
8
88
Can AI accelerate reaction discovery in photocatalysis? We (@GloriusGroup) present a data-driven strategy to unlock the triplet-state reactivity of monocyclic heteroarenes, enabling EnT-catalyzed intermolecular dearomative cycloadditions. Now in @J_A_C_S!
pubs.acs.org
Visible-light-mediated energy transfer (EnT) photocatalysis has emerged as a highly appealing strategy for converting planar (hetero)arenes into complex, medicinally relevant, three-dimensional (3D)...
4
9
121
Just returned from the European Symposium on Organic Chemistry 2025 after almost a week of engaging talks, diverse poster sessions and exploring Copenhagen🇩🇰. We had an inspiring time and thank everyone involved. Congratulations to Rebecca for winning a poster prize!🥳 #ESOC2025
0
6
75
Our summer party was a blast! We welcomed alumni, current members and students for a day of fun. Great food, even better company — thank you all for coming!☀️🥂 Can you spot our BBQ team?😉 #GloriusFamily #GroupSpirit #Chemistry #LabLife #SummerVibes
0
7
122
🚀 Our Research in the Chemical Industry symposium (FoChIn) kicks off tomorrow at @uni_muenster Here, academia meets industry with top researchers from BASF, Bayer, Boehringer Ingelheim & Sasol. Expect key insights, early-career spotlights & 25 posters!💡🧪 #ScientificExchange
0
4
51
⏳ Just ONE WEEK to go! Join us on Jan 16th for the 7th International Mini-Symposium on Molecular #MachineLearning📅🔜💻 Do not miss out and register for free: https://t.co/Z30gcP9nJB ✅ @KulikGroup @fjduarteg @ChengBingqing @Sigman_Lab
#7thMML #Symposium
0
6
29
No product reference? ❌ No problem! ✅Check out our work on calibration-free quantification for HTE in @digital_rsc. We combine GC-MS and GC-FID analysis with an open-source Python library for flexible reaction screening and rapid data processing. 🚀 https://t.co/f1IO5xTAP9
0
10
87
🎄✨Your Calendar’s Best Gift🎁 Join us online on Jan 16th for the 7th International Mini-Symposium on #Molecular #MachineLearning 🧪 🎤 Cutting-edge talks: 🔹 @KulikGroup 🔹 @fjduarteg 🔹 @ChengBingqing 🔹 @Sigman_Lab 💻 Register now: https://t.co/Z30gcP9Vz9
0
12
31
7th International Symposium on Molecular Machine Learning (ONLINE) - 16th January 2025 We would be deligthed, if you would join. Please, RT. 🙏 @spp2363
1
19
67
Switchable and Chemoselective Arene Hydrogenation for Efficient Late Stage Applications | Journal of the American Chemical Society @uni_muenster
@GloriusGroup @GloriusFrank @TotalSyntheses #Switchable #Arene #Hydrogenation #LateStage #Functionalization
pubs.acs.org
The incorporation of three-dimensional structures into drug molecules has demonstrated significant improvements in clinical success. Late-stage saturation of drug molecules provides a direct pathway...
1
10
62
Wanna switch between benzene or pyridine in late-stage saturation of drug molecules?🔁🔍 Check out 👇our latest paper in @J_A_C_S for an innovative method to achieve chemoselective hydrogenation! #DrugDiscovery #Hydrogenation
https://t.co/KiCiF8t4f8
pubs.acs.org
The incorporation of three-dimensional structures into drug molecules has demonstrated significant improvements in clinical success. Late-stage saturation of drug molecules provides a direct pathway...
3
18
123
EnTdecker − A Machine Learning-Based Platform for Guiding Substrate Discovery in Energy Transfer Catalysis | Journal of the American Chemical Society @GloriusFrank @GloriusGroup @uni_muenster #ML #Substrate #EnergyTransfer #Catalysis
pubs.acs.org
Due to the magnitude of chemical space, the discovery of novel substrates in energy transfer (EnT) catalysis remains a daunting task. Experimental and computational strategies to identify compounds...
1
10
37
Trying to find substrates for EnT catalysis 💡? The @GloriusGroup presents EnTdecker - a ML tool to predict triplet energies and spin densities of organic molecules. Congratulations to the team! 👏🏻 #molecular #machinelearning
The name says it all... at least if you speak German😉. Use EnTdecker to accelerate the discovery for EnT catalysis🔥⏱️📈💯 Try it out yourself on https://t.co/5mwrPOMcrz check out the article in @J_A_C_S
https://t.co/u4mCtaEYAO
#MachineLearning #photocatalysis
0
3
14
Entdecker!💡
The name says it all... at least if you speak German😉. Use EnTdecker to accelerate the discovery for EnT catalysis🔥⏱️📈💯 Try it out yourself on https://t.co/5mwrPOMcrz check out the article in @J_A_C_S
https://t.co/u4mCtaEYAO
#MachineLearning #photocatalysis
1
0
10
STRATEGIC application of arene hydrogenation: Late-Stage Saturation of Drug Molecules 💊 https://t.co/UBsxQQD0Qj Great collaboration of Tim Cernak, Jiajia Ma and @GloriusGroup published in @J_A_C_S
#LateStage #Drug #Molecules
3
15
122
Objective (selection), diverse (structures), inclusion of negative data: "A Strategy toward Unbiased Evaluation of Reaction Generality" | @ACSCentSci Helping chemists to predict, if a molecule can be successfully transformed with a given method. https://t.co/4ExW0IRNFH
pubs.acs.org
With over 10,000 new reaction protocols arising every year, only a handful of these procedures transition from academia to application. A major reason for this gap stems from the lack of comprehens...
1
15
108