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@prefix sub: <https://w3id.org/np/RAv5YYsa6Y_I9R_D3N9bWkUaSjF3kmbiTh5mOAue3VaIk/> .
@prefix np: <http://www.nanopub.org/nschema#> .
@prefix dct: <http://purl.org/dc/terms/> .
@prefix xsd: <http://www.w3.org/2001/XMLSchema#> .
@prefix rdfs: <http://www.w3.org/2000/01/rdf-schema#> .
@prefix prov: <http://www.w3.org/ns/prov#> .
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sub:assertion {
  <https://doi.org/10.48550/arXiv.2501.08897> dct:title "Automated Retrosynthesis Planning of Macromolecules Using Large Language Models and Knowledge Graphs";
    <http://purl.org/spar/cito/describes> <https://neverblink.eu/ontologies/llm-kg/methods#AutomatedRetrosynthesisPlanningAgent>,
      <https://neverblink.eu/ontologies/llm-kg/methods#MultibranchedReactionPathwaySearchAlgorithm>;
    <http://purl.org/spar/cito/discusses> <https://neverblink.eu/ontologies/llm-kg/methods#ChainOfThought>,
      <https://neverblink.eu/ontologies/llm-kg/methods#InContextLearning>, <https://neverblink.eu/ontologies/llm-kg/methods#MemoizedDepthFirstSearch>,
      <https://neverblink.eu/ontologies/llm-kg/methods#PromptEngineering>, <https://neverblink.eu/ontologies/llm-kg/methods#RetrievalAugmentedGeneration>;
    a prov:Entity .
  
  <https://neverblink.eu/ontologies/llm-kg/methods#AutomatedRetrosynthesisPlanningAgent>
    dct:subject <https://neverblink.eu/ontologies/llm-kg/categories#SynergizedReasoning>;
    a <http://purl.org/spar/fabio/Workflow>;
    rdfs:comment "This method proposes a comprehensive agent system that integrates LLMs for information extraction, entity alignment, and pathway evaluation/recommendation, with KGs for structured storage, efficient retrieval, and robust pathway construction and search. The system leverages the strengths of both to perform multi-step retrosynthesis planning, where LLMs and KGs collaboratively contribute to the complex reasoning process.";
    rdfs:label "Automated Retrosynthesis Planning Agent";
    <https://neverblink.eu/ontologies/llm-kg/hasTopCategory> <https://neverblink.eu/ontologies/llm-kg/top-categories#SynergizedLLMKG> .
  
  <https://neverblink.eu/ontologies/llm-kg/methods#ChainOfThought> a <http://purl.org/spar/fabio/Workflow>;
    rdfs:label "Chain-of-Thought" .
  
  <https://neverblink.eu/ontologies/llm-kg/methods#InContextLearning> a <http://purl.org/spar/fabio/Workflow>;
    rdfs:label "In-context Learning" .
  
  <https://neverblink.eu/ontologies/llm-kg/methods#MemoizedDepthFirstSearch> a <http://purl.org/spar/fabio/Workflow>;
    rdfs:label "Memoized Depth-first Search" .
  
  <https://neverblink.eu/ontologies/llm-kg/methods#MultibranchedReactionPathwaySearchAlgorithm>
    dct:subject <https://neverblink.eu/ontologies/llm-kg/categories#SynergizedReasoning>;
    a <http://purl.org/spar/fabio/Workflow>;
    rdfs:comment "This is a novel algorithm explicitly designed to identify all valid multi-branched reaction pathways within a retrosynthetic pathway tree derived from a knowledge graph. It functions as a core component of the overall agent, specifically aimed at helping LLMs overcome their limitations in complex, multi-branched reasoning, thereby enabling a more comprehensive and accurate reasoning process within the synergized framework.";
    rdfs:label "Multi-branched Reaction Pathway Search Algorithm";
    <https://neverblink.eu/ontologies/llm-kg/hasTopCategory> <https://neverblink.eu/ontologies/llm-kg/top-categories#SynergizedLLMKG> .
  
  <https://neverblink.eu/ontologies/llm-kg/methods#PromptEngineering> a <http://purl.org/spar/fabio/Workflow>;
    rdfs:label "Prompt Engineering" .
  
  <https://neverblink.eu/ontologies/llm-kg/methods#RetrievalAugmentedGeneration> a <http://purl.org/spar/fabio/Workflow>;
    rdfs:label "Retrieval-Augmented Generation" .
}

sub:provenance {
  sub:assertion prov:wasAttributedTo <https://neverblink.eu/ontologies/llm-kg/agent>;
    prov:wasDerivedFrom <https://doi.org/10.48550/arXiv.2501.08897> .
}

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