TESSERA combines LLMs as local policy and evaluator with MCTS on knowledge graphs to compose mechanistic drug-disease explanations.
DrugBank 6.0: the DrugBank Knowledgebase for 2024.Nucleic Acids Research, 52(D1):D1265–D1275, January 2024
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Starling, a multi-agent LLM system, extracts ~6.3 million nuanced structured records from PubMed across six tasks with reported error rates of 0.6-7.7%, lower than several curated databases.
MARD-7B outperforms baselines and GPT-4o on novel drug pairs for mechanism-level DDI prediction via a new distillation pipeline with verifiable process rewards and releases all resources.
Boltz-2 and fine-tuned DrugFormDTA lead ML-based binding prediction while GNINA leads docking tools on a cleaned antiviral dataset, with performance varying by viral protein.
citing papers explorer
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LLM-Guided Monte Carlo Tree Search over Knowledge Graphs: Composing Mechanistic Explanations for Drug-Disease Pairs
TESSERA combines LLMs as local policy and evaluator with MCTS on knowledge graphs to compose mechanistic drug-disease explanations.
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Self-Driving Datasets: From 20 Million Papers to Nuanced Biomedical Knowledge at Scale
Starling, a multi-agent LLM system, extracts ~6.3 million nuanced structured records from PubMed across six tasks with reported error rates of 0.6-7.7%, lower than several curated databases.
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MARD: Mirror-Augmented Reasoning Distillation for Mechanism-Level Drug-Drug Interaction Prediction
MARD-7B outperforms baselines and GPT-4o on novel drug pairs for mechanism-level DDI prediction via a new distillation pipeline with verifiable process rewards and releases all resources.
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Benchmarking open-source tools for in silico antiviral drug discovery
Boltz-2 and fine-tuned DrugFormDTA lead ML-based binding prediction while GNINA leads docking tools on a cleaned antiviral dataset, with performance varying by viral protein.