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Towards accelerating small molecule drug discovery with pre-trained, late fusion multi-view modelsJoseph MorroneDiwakar Mahajanet al.2024ACS Fall 2024
Atomistic simulations and machine learning approaches to investigate bromoform interactions with cell membranes: Implications for seaweed-based methane emission reductionJie ShiKevin Chenget al.2024ACS Fall 2024
Multimodal Molecular Representation Learning for Small Molecule Drug Discovery - Pretraining and Early Fusion ArchitecturesPartha SuryanarayananShreyans Sethiet al.2024ACS Fall 2024
Analysis of docking for binding affinity predictionRaúl Fernández DíazDenis Shieldset al.2024ACS Fall 2024
Effect of dataset partitioning strategies for evaluating out-of-distribution generalisation for predictive models in biochemistryRaúl Fernández DíazLam Thanh Hoanget al.2024ACS Fall 2024
AI-Driven Autonomous Microrobots for Targeted MedicineMahmoud MedanyKarthik Mukkavilliet al.2024Nat Rev Bioeng
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