Nupur Jain
@Nupur2788
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Joined June 2023
Check out our latest work published in @ChemicalScience in collaboration with @YulabJin : Molecular Machine Learning Approach to Enantioselective C–H Bond Activation Reactions: From Generative AI to Experimental Validation https://t.co/mj6sVlBpH3
pubs.rsc.org
Molecular machine learning (ML) has gained considerable attention in recent years. Developing ML algorithms for chemical reaction prediction is a formidable task, due to the small-sized reaction data...
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Checkout @soumenpaira1 latest @ChemicalScience 🎉 on Chemoselective asymmetric hydrogenation of ketones, ketoesters & β-ketoamides using [Mn–cinchona] catalyst. Thanks @anrfonline for funding, @iitkanpur for infra & @iitbombay (Sunoj) for DFT! 👉 https://t.co/6V8SXMxFNi
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Check out our latest collaboration work with @GharpureLab in @ACSCatalysis unraveling the mechanism and origin of regio-, diastereo-, and enantio-selectivities in Ni-catalyzed hydroalkylation reactions of branched 1,3-Dienes.
pubs.acs.org
Transition metal-catalyzed stereoselective hydroalkylation of 1,3-diene in the synthesis of chiral molecules bearing allylic stereocenters is important. Although convenient methods for synthesis...
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Check out our collaboration with @basker25071980 in the mechanistic investigation of Enantioselective Asymmetric Hydrogenation of ketones! Good work @Nupur2788 !
Checkout @soumenpaira1 latest @ChemicalScience 🎉 on Chemoselective asymmetric hydrogenation of ketones, ketoesters & β-ketoamides using [Mn–cinchona] catalyst. Thanks @anrfonline for funding, @iitkanpur for infra & @iitbombay (Sunoj) for DFT! 👉 https://t.co/6V8SXMxFNi
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A Priori Design of [Mn(I)-Cinchona] catalyst for Asymmetric Hydrogenation of Ketones and β-Keto carbonyl Derivatives
pubs.rsc.org
Herein, we report an efficient [Mncinchona] chiral catalytic system for the asymmetric hydrogenation of ketones, demonstrating a broad substrate scope and high chemoselectivity. The catalyst select...
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Really excited to share our recent work in @J_A_C_S using the novel approach of RL for the improvement of yield/enantioselectivity for reactions. Congratulations to the team on this big milestone! We also appreciate all the reviewers for their constructive suggestions.
Reinforcement Learning for Improving Chemical Reaction Performance | Journal of the American Chemical Society @iitbombay #ML @ML_Chem #Reaction #Performance
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Reinforcement Learning for Improving Chemical Reaction Performance #machinelearning #compchem
pubs.acs.org
Deep learning (DL) methods have gained notable prominence in predictive and generative tasks in molecular space. However, their application in chemical reactions remains grossly underutilized....
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Prof. Sunoj joins the JOC Editor Team! We are pleased to welcome Raghavan Sunoj from IIT Bombay @sunojchemlab as our newest Associate Editor--he may soon be handling your manuscript. Please send some good ones to get him started. https://t.co/eIMfNNnUck
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We're absolutely thrilled to share the wonderful news that Prof. Sunoj has received the prestigious National Teachers' Award, a recognition bestowed by the President of India, honoring those educators whose steadfast commitment to education has left an indelible mark on society.
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