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ZENODO
Preprint . 2026
License: CC BY
Data sources: ZENODO
ZENODO
Preprint . 2026
License: CC BY
Data sources: Datacite
ZENODO
Preprint . 2026
License: CC BY
Data sources: Datacite
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CausalBioRL: Reinforcement Learning with Causal World Models for Autonomous Drug Discovery

Authors: Njeri, Kelyn Paul;

CausalBioRL: Reinforcement Learning with Causal World Models for Autonomous Drug Discovery

Abstract

Model-based RL framework integrating causal discovery, structural causal models, and do-calculus planning for drug discovery. Features a DrugDiscovery-v0 Gymnasium environment (244D obs, 130D action), hierarchical planner (UCB1 + CEM), adaptive reward learner, and surrogate docking. Benchmarked against PPO, SAC, and random baselines across 3 environments.

Keywords

Hierarchial Planning, Drug discovery, Reinforcement learning, Drug Discovery, Structural Causal Models, causal inference, Molecular Generation

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
Average
Average
Green