Udaykumar D. Priyakumar
Hyderabad, TG 500032, India
Last Updated: 09/26/2026
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Found 55 publications
Mechanistic principles of antimicrobial peptides uncovered by charge density-based machine learning.
Mechanistic principles of antimicrobial peptides uncovered by charge density-based machine learning.
Journal: Chemical communications (Cambridge, England)
Published: February 03, 2026
Leveraging high-spin DFT features for prediction of spin state gaps in 3d transition metal complexes.
Journal: Physical chemistry chemical physics : PCCP
Published: September 16, 2025
Generative artificial intelligence for small molecule drug design.
Journal: Current opinion in biotechnology
Published: April 14, 2024
Deep reinforcement learning in chemistry: A review.
Journal: Journal of computational chemistry
Published: December 11, 2023
MolOpt: Autonomous Molecular Geometry Optimization Using Multiagent Reinforcement Learning.
Journal: The journal of physical chemistry. B
Published: November 28, 2023
Molecular Property Diagnostic Suite for COVID-19 (MPDSCOVID-19): an open-source disease-specific drug discovery portal.
Journal: GigaByte (Hong Kong, China)
Published: October 18, 2023
Carbodicarbenes and Striking Redox Transitions of their Conjugate Acids: Influence of NHC versus CAAC as Donor Substituents.
Journal: Chemistry (Weinheim an der Bergstrasse, Germany)
Published: September 15, 2022
Tetra-Coordinated Boron-Functionalized Phenanthroimidazole-Based Zinc Salen as a Photocatalyst for the Cycloaddition of CO2 and Epoxides.
Journal: Inorganic chemistry
Published: September 08, 2022
Deep Reinforcement Learning for Molecular Inverse Problem of Nuclear Magnetic Resonance Spectra to Molecular Structure.
Journal: The journal of physical chemistry letters
Published: May 31, 2022
BiRDS - Binding Residue Detection from Protein Sequences Using Deep ResNets.
Journal: Journal of chemical information and modeling
Published: April 13, 2022
MO-MEMES: A method for accelerating virtual screening using multi-objective Bayesian optimization.
Journal: Frontiers in medicine
Published: April 09, 2022
PREHOST: Host prediction of coronaviridae family using machine learning.
Journal: Heliyon
Published: February 11, 2022
Last Updated: 09/26/2026