Priyakumar UD - Search Results

1

Structure-based drug repurposing: Traditional and advanced AI/ML-aided methods.

Choudhury C, Arul Murugan N, Priyakumar UD. Choudhury C, et al. Among authors: priyakumar ud. Drug Discov Today. 2022 Jul;27(7):1847-1861. doi: 10.1016/j.drudis.2022.03.006. Epub 2022 Mar 14. Drug Discov Today. 2022. PMID: 35301148 Free PMC article. Review.

2

Dynamics based pharmacophore models for screening potential inhibitors of mycobacterial cyclopropane synthase.

Choudhury C, Priyakumar UD, Sastry GN. Choudhury C, et al. Among authors: priyakumar ud. J Chem Inf Model. 2015 Apr 27;55(4):848-60. doi: 10.1021/ci500737b. Epub 2015 Mar 16. J Chem Inf Model. 2015. PMID: 25751016

3

MoleGuLAR: Molecule Generation Using Reinforcement Learning with Alternating Rewards.

Goel M, Raghunathan S, Laghuvarapu S, Priyakumar UD. Goel M, et al. Among authors: priyakumar ud. J Chem Inf Model. 2021 Dec 27;61(12):5815-5826. doi: 10.1021/acs.jcim.1c01341. Epub 2021 Dec 6. J Chem Inf Model. 2021. PMID: 34866384

4

Modern machine learning for tackling inverse problems in chemistry: molecular design to realization.

Sridharan B, Goel M, Priyakumar UD. Sridharan B, et al. Among authors: priyakumar ud. Chem Commun (Camb). 2022 Apr 28;58(35):5316-5331. doi: 10.1039/d1cc07035e. Chem Commun (Camb). 2022. PMID: 35416193 Review.

5

Machine Learning Based Clinical Decision Support System for Early COVID-19 Mortality Prediction.

Karthikeyan A, Garg A, Vinod PK, Priyakumar UD. Karthikeyan A, et al. Among authors: priyakumar ud. Front Public Health. 2021 May 12;9:626697. doi: 10.3389/fpubh.2021.626697. eCollection 2021. Front Public Health. 2021. PMID: 34055710 Free PMC article.

6

DeepPocket: Ligand Binding Site Detection and Segmentation using 3D Convolutional Neural Networks.

Aggarwal R, Gupta A, Chelur V, Jawahar CV, Priyakumar UD. Aggarwal R, et al. Among authors: priyakumar ud. J Chem Inf Model. 2022 Nov 14;62(21):5069-5079. doi: 10.1021/acs.jcim.1c00799. Epub 2021 Aug 10. J Chem Inf Model. 2022. PMID: 34374539 Review.

7

MEMES: Machine learning framework for Enhanced MolEcular Screening.

Mehta S, Laghuvarapu S, Pathak Y, Sethi A, Alvala M, Priyakumar UD. Mehta S, et al. Among authors: priyakumar ud. Chem Sci. 2021 Jul 26;12(35):11710-11721. doi: 10.1039/d1sc02783b. eCollection 2021 Sep 15. Chem Sci. 2021. PMID: 34659706 Free PMC article.

8

MolGPT: Molecular Generation Using a Transformer-Decoder Model.

Bagal V, Aggarwal R, Vinod PK, Priyakumar UD. Bagal V, et al. Among authors: priyakumar ud. J Chem Inf Model. 2022 May 9;62(9):2064-2076. doi: 10.1021/acs.jcim.1c00600. Epub 2021 Oct 25. J Chem Inf Model. 2022. PMID: 34694798 Review.

9

Artificial intelligence: machine learning for chemical sciences.

Karthikeyan A, Priyakumar UD. Karthikeyan A, et al. Among authors: priyakumar ud. J Chem Sci (Bangalore). 2022;134(1):2. doi: 10.1007/s12039-021-01995-2. Epub 2021 Dec 21. J Chem Sci (Bangalore). 2022. PMID: 34955617 Free PMC article.

10

PLAS-5k: Dataset of Protein-Ligand Affinities from Molecular Dynamics for Machine Learning Applications.

Korlepara DB, Vasavi CS, Jeurkar S, Pal PK, Roy S, Mehta S, Sharma S, Kumar V, Muvva C, Sridharan B, Garg A, Modee R, Bhati AP, Nayar D, Priyakumar UD. Korlepara DB, et al. Among authors: priyakumar ud. Sci Data. 2022 Sep 7;9(1):548. doi: 10.1038/s41597-022-01631-9. Sci Data. 2022. PMID: 36071074 Free PMC article.

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