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Raghavan B Sunoj

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Articles 126
Citations 591
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Recent Articles
1.
Hoque A, Surve M, Kalyanakrishnan S, Sunoj R
J Am Chem Soc . 2024 Oct; PMID: 39356950
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. Chemical reactions are intrinsically complex:...
2.
Li S, Zhang D, Purushothaman A, Lv H, Shilpa S, Sunoj R, et al.
Nat Commun . 2024 Jul; 15(1):6377. PMID: 39075045
Catalytic asymmetric synthesis of polysubstituted chiral cyclopropane presents a significant challenge in organic synthesis due to the difficulty in enantioselective control. Here we report a rhodium-catalyzed highly chemo-, regio- and...
3.
Das M, Ghosh A, Sunoj R
J Comput Chem . 2024 Feb; 45(14):1160-1176. PMID: 38299229
Molecular properties and reactions form the foundation of chemical space. Over the years, innumerable molecules have been synthesized, a smaller fraction of them found immediate applications, while a larger proportion...
4.
Bhattacharya T, Ghosh S, Dutta S, Guin S, Ghosh A, Ge H, et al.
Angew Chem Int Ed Engl . 2023 Nov; 63(2):e202310112. PMID: 37997014
The significance of stereoselective C-H bond functionalization thrives on its direct application potential to pharmaceuticals or complex chiral molecule synthesis. Complication arises when there are multiple stereogenic elements such as...
5.
Shilpa S, Kashyap G, Sunoj R
J Phys Chem A . 2023 Sep; 127(40):8253-8271. PMID: 37769193
Burgeoning developments in machine learning (ML) and its rapidly growing adaptations in chemistry are noteworthy. Motivated by the successful deployments of ML in the realm of molecular property prediction (MPP)...
6.
Singh S, Sunoj R
Acc Chem Res . 2023 Jan; 56(3):402-412. PMID: 36715248
ConspectusIn the domain of reaction development, one aims to obtain higher efficacies as measured in terms of yield and/or selectivities. During the empirical cycles, an admixture of outcomes from low...
7.
Ghosh S, Changotra A, Petrone D, Isomura M, Carreira E, Sunoj R
J Am Chem Soc . 2023 Jan; 145(5):2884-2900. PMID: 36695526
The involvement of planar carbocation intermediates is generally considered undesirable in asymmetric catalysis due to the difficulty in gaining facial control and their intrinsic stability issues. Recently, suitably designed chiral...
8.
Das S, Das S, Ghosh S, Roy S, Pareek M, Roy B, et al.
Chem Sci . 2022 Nov; 13(40):11817-11828. PMID: 36320905
A catalytic system for intramolecular C(sp)-H and C(sp)-H amination of substituted tetrazolopyridines has been successfully developed. The amination reactions are developed using an iron-porphyrin based catalytic system. It has been...
9.
Singh S, Sunoj R
iScience . 2022 Jul; 25(7):104661. PMID: 35832891
Sustainable practices in chemical sciences can be better realized by adopting interdisciplinary approaches that combine the advantages of machine learning (ML) on the initially acquired small data in reaction discovery....
10.
Hoque M, Bisht R, Unnikrishnan A, Dey S, Hassan M, Guria S, et al.
Angew Chem Int Ed Engl . 2022 Apr; 61(27):e202203539. PMID: 35441762
A method of para-selective borylation of aromatic amides is described. The borylation proceeded via an unprecedented substrate-ligand distortion between the twisted aromatic amides and a newly designed ligand framework (defa)...