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From Top-1 to Top-K: A Reproducibility Study and Benchmarking of Counterfactual Explanations for Recommender Systems Impact of large language models on peer review opinions from a fine-grained perspective: Evidence from top conference proceedings in AI Diagnosable ColBERT: Debugging Late-Interaction Retrieval Models Using a Learned Latent Space as Reference Enhancing Unsupervised Keyword Extraction in Academic Papers through Integrating Highlights with Abstract CAST: Modeling Semantic-Level Transitions for Complementary-Aware Sequential Recommendation IndiaFinBench: An Evaluation Benchmark for Large Language Model Performance on Indian Financial Regulatory Text Think Before Writing: Feature-Level Multi-Objective Optimization for Generative Citation Visibility RARE: Redundancy-Aware Retrieval Evaluation Framework for High-Similarity Corpora Personalized Benchmarking: Evaluating LLMs by Individual Preferences Modular Representation Compression: Adapting LLMs for Efficient and Effective Recommendations JFinTEB: Japanese Financial Text Embedding Benchmark UsefulBench: Towards Decision-Useful Information as a Target for Information Retrieval SIMMER: Cross-Modal Food Image--Recipe Retrieval via MLLM-Based Embedding Rethinking the Necessity of Adaptive Retrieval-Augmented Generation through the Lens of Adaptive Listwise Ranking BioHiCL: Hierarchical Multi-Label Contrastive Learning for Biomedical Retrieval with MeSH Labels Learning Behaviorally Grounded Item Embeddings via Personalized Temporal Contexts Collaborative Filtering Through Weighted Similarities of User and Item Embeddings IG-Search: Step-Level Information Gain Rewards for Search-Augmented Reasoning Metric-agnostic Learning-to-Rank via Boosting and Rank Approximation GenRec: A Preference-Oriented Generative Framework for Large-Scale Recommendation Uncertainty-aware Generative Learning Path Recommendation with Cognition-Adaptive Diffusion CPGRec+: A Balance-oriented Framework for Personalized Video Game Recommendations Don't Retrieve, Navigate: Distilling Enterprise Knowledge into Navigable Agent Skills for QA and RAG NewsTorch: A PyTorch-based Toolkit for Learner-oriented News Recommendation Controlling Authority Retrieval: A Missing Retrieval Objective for Authority-Governed Knowledge APEX-MEM: Agentic Semi-Structured Memory with Temporal Reasoning for Long-Term Conversational AI ID and Graph View Contrastive Learning with Multi-View Attention Fusion for Sequential Recommendation Large Language Models to Enhance Business Process Modeling: Past, Present, and Future Trends Dual-Enhancement Product Bundling: Bridging Interactive Graph and Large Language Model Evaluation of Agents under Simulated AI Marketplace Dynamics
BioChemInsight: An Online Platform for Automated Extracti...
Zhe Wang, Fangtian Fu, Wei Zhang, Lige Yan, Nan Li, Wenxia Deng, · 2025-04-12 · via cs.IR updates on arXiv.org

The automated extraction of chemical structures and their corresponding bioactivity data is essential for accelerating drug discovery and enabling data-driven research. Current optical chemical structure recognition tools lack the capability to autonomously link molecular structures with their bioactivity profiles, posing a significant bottleneck in structure-activity relationship analysis. To address this, we present BioChemInsight, an open-source pipeline that integrates DECIMER Segmentation with MolNexTR for chemical structure recognition, GLM-4.5V for compound identifier association, and PaddleOCR combined with GLM-4.6 for bioactivity extraction and unit normalization. We evaluated BioChemInsight on 181 patents covering 15 therapeutic targets. The system achieved an average extraction accuracy of above 90% across three key tasks: chemical structure recognition, bioactivity data extraction, and compound identifier association. Our analysis indicates that the chemical space covered by patents is largely complementary to that contained in established public database ChEMBL. Consequently, by enabling systematic patent mining, BioChemInsight provides access to chemical information underrepresented in ChEMBL. This capability expands the landscape of explorable compound-target interactions, enriches the data foundation for quantitative structure-activity relationship modeling and targeted screening, and reduces data preprocessing time from weeks to hours. BioChemInsight is available at https://github.com/dahuilangda/BioChemInsight.