Articles by U. Deva Priyakumar | Synthical

Synthical

Your space

Profile

Activity

Favorites

Folders

Feeds

Contacts

About

Articles by U. Deva Priyakumar | Synthical

Claim page

U. Deva Priyakumar

Follow

Activity

Upvotes

Folders

Articles

21

Theoretical Investigation of Catalytic Oxidation of Benzylalcohol by Au, Cu and Au-Cu nanoclusters

4 July 2025 by Pradeep Kumar Pal and U. Deva Priyakumar

Theoretical and Computational Chemistry, Computational Chemistry and Modeling

Thoracic Fluid Measurements by Bioimpedance: A Comprehensive Survey

11 April 2025 by Manender Yadav and others

Medical Physics

Leveraging High-Spin DFT Features for Prediction of Spin State Gaps in 3d Transition Metal Complexes

26 March 2025 by Anuj Kumar Ray and others

Theoretical and Computational Chemistry, Machine Learning

Comparative study of the Catalytic Activity of Gold and Copper nanoclusters on Benzyl Alcohol oxidation to Benzaldehyde using Density Functional Theory

2 December 2024 by Pradeep Kumar Pal and U. Deva Priyakumar

Theoretical and Computational Chemistry, Computational Chemistry and Modeling

Density functional theory investigation of Stability and Reactivity in Au-Cu nanoclusters of type AumCun (m+n=13)

25 October 2024 by Pradeep Kumar Pal and U. Deva Priyakumar

Theoretical and Computational Chemistry, Computational Chemistry and Modeling

Dissecting Errors in Machine Learning for Retrosynthesis: A Granular Metric Framework and Transformer-Based Model for More Informative Predictions

1 July 2024 by Arihanth Srikar Tadanki and others

Theoretical and Computational Chemistry, Machine Learning

Self-Supervised Modality-Agnostic Pre-Training of Swin Transformers

21 May 2024 by Abhiroop Talasila and others at

Institute of Information Technology

Computer Vision and Pattern Recognition, Machine Learning

MolOpt: Autonomous Molecular Geometry Optimization using Multi-Agent Reinforcement Learning

24 August 2023 by Rohit Modee and others

Theoretical and Computational Chemistry, Machine Learning

PLAS-20k: Extended Dataset of Protein-Ligand Affinities from MD Simulations for Machine Learning Applications

7 August 2023 by U. Deva Priyakumar and others

Theoretical and Computational Chemistry, Biological and Medicinal Chemistry

IMLE-Net: An Interpretable Multi-level Multi-channel Model for ECG Classification

6 April 2022 by Likith Reddy and others

Signal Processing, Machine Learning

Spectra to Structure: Deep Reinforcement Learning for Molecular Inverse Problem

16 December 2021 by Bhuvanesh Sridharan and others

Machine Learning, Chemoinformatics

BiRDS - Binding Residue Detection from Protein Sequences using Deep ResNets

6 December 2021 by Vineeth Chelur and U. Deva Priyakumar

Biological and Medicinal Chemistry, Theoretical and Computational Chemistry

APObind: A Dataset of Ligand Unbound Protein Conformations for Machine Learning Applications in De Novo Drug Design

25 August 2021 by Rishal Aggarwal and others

Biomolecules, Artificial Intelligence

MoleGuLAR: Molecule Generation using Reinforcement Learning with Alternating Rewards

27 July 2021 by Manan Goel and others

Chemoinformatics, Computational Chemistry and Modeling

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

15 July 2021 by Rishal Aggarwal and others at

Institute of Information Technology

Biological and Medicinal Chemistry, Artificial Intelligence

MEMES: Machine learning framework for Enhanced MolEcular Screening

15 July 2021 by Sarvesh Mehta and others

Biological and Medicinal Chemistry, Theoretical and Computational Chemistry

Linear Prediction Residual for Efficient Diagnosis of Parkinson's Disease from Gait

9 July 2021 by Shanmukh Alle and U. Deva Priyakumar

Image and Video Processing, Machine Learning

SCONES: Self-Consistent Neural Network for Protein Stability Prediction Upon Mutation

4 June 2021 by Yashas Samaga B. L. and others

Computational Chemistry and Modeling, Artificial Intelligence

DART: Deep Learning Enabled Topological Interaction Model for Energy Prediction of Metal Clusters and its Application in Identifying Unique Low Energy Isomers

26 May 2021 by Rohit Modee and others

Machine Learning, Computational Chemistry and Modeling

LigGPT: Molecular Generation using a Transformer-Decoder Model

11 May 2021 by Viraj Bagal and others

Machine Learning, Chemoinformatics

MMBERT: Multimodal BERT Pretraining for Improved Medical VQA

3 April 2021 by Yash Khare and others

Computer Vision and Pattern Recognition, Computation and Language

Transition between [R]- and [S]-Stereoisomers without Bond Breaking

1 June 2020 by Shampa Raghunathan and others

Computational Chemistry and Modeling, Theory

Deep Learning Enabled Inorganic Material Generator

18 May 2020 by Yashaswi Pathak and others

Machine Learning, Chemoinformatics

Machine Learning for Accurate Force Calculations in Molecular Dynamics Simulations

8 May 2020 by Punyaslok Pattnaik and others

Machine Learning, Computational Chemistry and Modeling

Chemically Interpretable Graph Interaction Network for Prediction of Pharmacokinetic Properties of Drug-like Molecules

10 December 2019 by Yashaswi Pathak and others

Machine Learning, Chemoinformatics

BAND NN: A Deep Learning Framework For Energy Prediction and Geometry Optimization of Organic Small Molecules

6 September 2019 by Siddhartha Laghuvarapu and others

Machine Learning, Computational Chemistry and Modeling

Urea destabilizes RNA by forming stacking interactions and multiple hydrogen bonds with nucleic acid bases

7 December 2009 by U. Deva Priyakumar and others

Biomolecules, Soft Condensed Matter

Topics

Machine Learning Artificial Intelligence Theoretical and Computational Chemistry Chemoinformatics Computational Chemistry and Modeling Biological and Medicinal Chemistry Bioinformatics and Computational Biology Theory Computer Vision and Pattern Recognition Image and Video Processing Drug Discovery and Drug Delivery Systems Biomolecules Signal Processing Bioengineering and Biotechnology Biochemistry