Nanopublications

@prefix this: <https://w3id.org/np/RAv5YYsa6Y_I9R_D3N9bWkUaSjF3kmbiTh5mOAue3VaIk> .
@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#> .
@prefix npx: <http://purl.org/nanopub/x/> .

sub:Head {
  this: np:hasAssertion sub:assertion ;
    np:hasProvenance sub:provenance ;
    np:hasPublicationInfo sub:pubinfo ;
    a np:Nanopublication .
}

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> .
}

sub:pubinfo {
  this: dct:created "2026-02-26T16:29:29.720Z"^^xsd:dateTime ;
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    npx:hasNanopubType <https://neverblink.eu/ontologies/llm-kg/PaperAssessmentResult> ;
    rdfs:label "LLM-KG assessment for paper 10.48550/arXiv.2501.08897" .
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