Sowmya Ramaswamy Krishnan — accepted AI-conference papers

2025

Generative Flow Networks for Lead Optimization in Drug Design (Student Abstract)

Akshat Santhana Gopalan, Sowmya Ramaswamy Krishnan

AAAI 2025technical

This paper investigates the application of Generative Flow Networks (GFlowNets) to lead optimization in drug discovery. GFlowNets provide a novel framework for generating diverse molecular structures while optimizing for desired properties, addressing the limitations of traditional methods in explor…

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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 +1

AAAI 2024technical

Large Language Models (LLMs) can be used as repositories of biological and chemical information to generate pharmacological lead compounds. However, for LLMs to focus on specific drug targets typically requires experimentation with progressively more refined prompts. Results thus become dependent no…

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