Sunoj Lab
@sunojchemlab
Followers
244
Following
40
Media
4
Statuses
34
Exploring the chemical world with Machine Learning and Computational Studies. Research Lab working at @iitbombay .
Mumbai, India
Joined November 2022
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.
19
15
290
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.
0
1
12
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!. 👉
0
4
30
RT @basker25071980: Checkout @soumenpaira1 latest @ChemicalScience 🎉.on Chemoselective asymmetric hydrogenation of ketones, ketoesters & β….
0
9
0
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 .
1
3
8
RT @Chemistry_IITB: The 1st keynote lecture of Day 3 in Lecture Hall 21, VMCC, delivered by Prof. R. B. Sunoj (Department of Chemistry, IIT….
0
2
0
RT @ML_Chem: Reinforcement Learning for Improving Chemical Reaction Performance #machinelearning #compchem
0
7
0
1
0
1
RT @J_A_C_S: Reinforcement Learning for Improving Chemical Reaction Performance | Journal of the American Chemical Society @iitbombay #ML @….
0
8
0
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
3
6
23
@ajnabiul_h @Manajit22933875 This work introduces a new dataset for predicting single-step reactions, which is required to automate CRM generation. An attention-based GNN model is employed that learns to predict reaction steps and reactive atoms simultaneously. @ML_Chem #machinelearning #compchem 3/n.
0
0
3
Congratulations to @ajnabiul_h @Manajit22933875 for their excellent efforts. Understanding chemical reaction mechanisms (CRM) is crucial for designing and discovering new reactions. Currently, available methods employ resource-intensive QM methods to predict CRM. 2/n.
1
0
3
Happy to announce our new work "ReactAIvate: A Deep Learning Approach to Predicting Reaction Mechanisms and Unmasking Reactivity Hotspots" on reaction mechanism prediction out now in @ecai2024 in collaboration with @mayankbaran .Check the paper here: 1/n.
1
1
10
RT @maiti_iitb: Chiral phosphoric acid and chiral amino acid ligand in concert helped us obtain one major stereoisomer out of four distinct….
0
16
0
RT @JOC_OL: Prof. Sunoj joins the JOC Editor Team! We are pleased to welcome Raghavan Sunoj from IIT Bombay @sunojchemlab as our newest Ass….
0
12
0
RT @iitbombay: IIT Bombay congratulates Prof. Raghavan B Sunoj for receiving the National Award to Teachers 2023 for Higher Education at t….
0
11
0
RT @EduMinOfIndia: Dr. Raghavan B. Sunoj, a National Awardee Teacher 2023, a Professor in Department of Chemistry, IIT Bombay is recipient….
0
22
0