Sunoj Lab
@sunojchemlab
Followers
250
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.
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...
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! 👉 https://t.co/6V8SXMxFNi
0
4
30
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
36
9
168
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...
1
3
8
The 1st keynote lecture of Day 3 in Lecture Hall 21, VMCC, delivered by Prof. R. B. Sunoj (Department of Chemistry, IIT Bombay) on "Computational Catalysis and machine leaning Approaches to Asymmetric Catalysis" #ISCHA2024
1
2
40
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....
0
7
12
1
0
1
Reinforcement Learning for Improving Chemical Reaction Performance | Journal of the American Chemical Society @iitbombay #ML @ML_Chem #Reaction #Performance
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....
1
8
22
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: https://t.co/EdU06AWM8g 1/n
1
1
10
Chiral phosphoric acid and chiral amino acid ligand in concert helped us obtain one major stereoisomer out of four distinct possibilities, @angew_chem
https://t.co/ZKE98MFgly Thank you @BTrishatweets, @dm_lab, RBSunoj and HaiboGe, @serbonline
onlinelibrary.wiley.com
The aim of converging multiple stereocenters in asymmetric catalysis brings exciting avenues for expanding the ‘chiral pool’. With this aim, a dual-cooperative ligand system was developed for...
21
16
316
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
7
12
113
IIT Bombay congratulates Prof. Raghavan B Sunoj for receiving the National Award to Teachers 2023 for Higher Education at the hands of Hon’ble President Droupadi Murmu on the occasion of Teachers’ Day 2023 on September 5 at a ceremony held at Vigyan Bhawan, New Delhi.
2
11
197
Dr. Raghavan B. Sunoj, a National Awardee Teacher 2023, a Professor in Department of Chemistry, IIT Bombay is recipient of Shanti Swarup Bhatnagar prize for chemical science in 2019 and Prof. S. C. Bhattacharya award, the highest award of the IIT Bombay, for research in pure
2
22
229