Arijit Roy

According to our database, Arijit Roy authored at least 13 papers between 2019 and 2025.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2025

MolDecor: Leveraging Transformers to Decorate Bioactive Molecules for Property Optimization.

Dibyajyoti Das, Sarveswara Rao Vangala, Arijit Roy

J. Chem. Inf. Model., 2025

Comment on "Contrastive pre-training and 3D convolution neural network for RNA and small molecule binding affinity prediction" by Sun and Gao.

Sowmya Ramaswamy Krishnan, Arijit Roy, M. Michael Gromiha

Bioinform., 2025

2024

Suitability of large language models for extraction of high-quality chemical reaction dataset from patent literature.

Sarveswara Rao Vangala, Sowmya Ramaswamy Krishnan, Navneet Bung, Dhandapani Nandagopal, Gomathi Ramasamy, Satyam Kumar, Sridharan Sankaran, Rajgopal Srinivasan, Arijit Roy

J. Cheminformatics, December, 2024

Reliable method for predicting the binding affinity of RNA-small molecule interactions using machine learning.

Sowmya Ramaswamy Krishnan, Arijit Roy, M. Michael Gromiha

Briefings Bioinform., March, 2024

Generating Novel Leads for Drug Discovery Using LLMs with Logical Feedback.

Shreyas Bhat Brahmavar, Ashwin Srinivasan, Tirtharaj Dash, Sowmya Ramaswamy Krishnan, Lovekesh Vig, Arijit Roy, Raviprasad Aduri

Proceedings of the Thirty-Eighth AAAI Conference on Artificial Intelligence, 2024

2023

pBRICS: A Novel Fragmentation Method for Explainable Property Prediction of Drug-Like Small Molecules.

Sarveswara Rao Vangala, Sowmya Ramaswamy Krishnan, Navneet Bung, Rajgopal Srinivasan, Arijit Roy

J. Chem. Inf. Model., August, 2023

Gex2SGen: Designing Drug-like Molecules from Desired Gene Expression Signatures.

Dibyajyoti Das, Broto Chakrabarty, Rajgopal Srinivasan, Arijit Roy

J. Chem. Inf. Model., April, 2023

2022

<i>De Novo</i> Structure-Based Drug Design Using Deep Learning.

Sowmya Ramaswamy Krishnan, Navneet Bung, Sarveswara Rao Vangala, Rajgopal Srinivasan, Gopalakrishnan Bulusu, Arijit Roy

J. Chem. Inf. Model., 2022

An <i>In Silico</i> Explainable Multiparameter Optimization Approach for <i>De Novo</i> Drug Design against Proteins from the Central Nervous System.

Navneet Bung, Sowmya Ramaswamy Krishnan, Arijit Roy

J. Chem. Inf. Model., 2022

2021

Network-Based Analysis of Fatal Comorbidities of COVID-19 and Potential Therapeutics.

Broto Chakrabarty, Dibyajyoti Das, Gopalakrishnan Bulusu, Arijit Roy

IEEE ACM Trans. Comput. Biol. Bioinform., 2021

Accelerating De Novo Drug Design against Novel Proteins Using Deep Learning.

Sowmya Ramaswamy Krishnan, Navneet Bung, Gopalakrishnan Bulusu, Arijit Roy

J. Chem. Inf. Model., 2021

Using Domain-Knowledge to Assist Lead Discovery in Early-Stage Drug Design.

Tirtharaj Dash, Ashwin Srinivasan, Lovekesh Vig, Arijit Roy

Proceedings of the Inductive Logic Programming - 30th International Conference, 2021

2019

Computational predictions of host-pathogen interactions using domain and sequence signature.

Dibyajyoti Das, Sowmya Ramaswamy Krishnan, Gopalakrishnan Bulusu, Arijit Roy

Proceedings of the 2019 IEEE International Conference on Bioinformatics and Biomedicine, 2019