1.7万 件 ・ 関連度順
概要と使いどころ
Drug regulatory and approval research — FDA substance registry, ATC/EPC classification, EMA decisions, generic-drug status, FDA Orange Book exclusivity, NDA/BLA pathways. Use for jurisdiction-aware approval status (FDA vs EMA), generic vs brand availability, exclusivity expiry tracking, and regulatory pathway selection. Always specifies the market when reporting status.
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Optimize ToolUniverse skills for better report quality, evidence handling, and user experience. Apply patterns like tool verification, foundation data layers, disambiguation-first, evidence grading, quantified completeness, and report-only output. Use when reviewing skills, improving existing skills, or creating new ToolUniverse research skills.
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Drug safety and adverse event analysis — FAERS spontaneous-report mining, FDA black-box warnings, signal detection (PRR, ROR, IC), risk factors by demographic/comorbidity, and label change tracking. Use for post-market safety surveillance, AE signal investigation, drug-AE association strength scoring, and pharmacovigilance reports.
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Comprehensive toolkit for creating, analyzing, and visualizing complex networks and graphs in Python. Use when working with network/graph data structures, analyzing relationships between entities, computing graph algorithms (shortest paths, centrality, clustering), detecting communities, generating synthetic networks, or visualizing network topologies. Applicable to social networks, biological networks, transportation systems, citation networks, and any domain involving pairwise relationships.
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Optimize tool descriptions in ToolUniverse JSON configs for clarity and usability. Reviews descriptions for missing prerequisites, unexpanded abbreviations, unclear parameters, and missing usage guidance. Use when reviewing tool descriptions, improving API documentation, or when user asks to check if tools are easy to understand.
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Dereplicate a putative natural product and assign its chemical taxonomy. Use to answer "is [compound] a known natural product", "what microbe/organism produces [compound]", "what chemical class is [compound]", "dereplicate this metabolite (by formula/exact mass/InChIKey/SMILES)", or "classify this molecule into ChemOnt". Searches NPAtlas for known microbial natural products (producing organism + literature reference), assigns the ChemOnt kingdom→superclass→class→subclass hierarchy via ClassyFire, resolves systematic IUPAC names to structure via OPSIN, and cross-references identity in PubChem. NOT for general drug/compound identity or ADMET (use tooluniverse-chemical-compound-retrieval / tooluniverse-small-molecule-discovery) and NOT for metabolomics pathway/enrichment analysis (use tooluniverse-metabolomics skills).
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Find commercial sources for chemical compounds — PubChem/ChEMBL identity resolution then vendor catalog search across ZINC, Enamine, eMolecules, Mcule. Compares pricing, availability, and identifies purchasable analogs when an exact compound is not in stock. Use for chemical procurement, virtual library curation, and 'where can I buy X' questions for synthesis planning.
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Protein structure prediction from sequence. ESMFold-based, single GPU, no MSA needed. Predicts 3D structures with pLDDT confidence scores for drug discovery targets.
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Generates 3D conformer ensembles using RDKit ETKDGv3 with knowledge-enhanced distance geometry, MMFF94/UFF force-field optimization, CREST + GFN2-xTB semi-empirical refinement, and macrocycle-aware torsion preferences. Provides explicit decision rules for single vs ensemble conformer use, RMSD pruning, energy windows, conformer count, and force-field choice. Use when preparing 3D ligands for docking, generating descriptor input for 3D QSAR, or sampling macrocycle/peptide conformational ensembles.
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Assigns honest lipid annotation levels, designs class-based internal-standard quantification, and runs lipid-aware differential and enrichment analysis with lipidr, guarding against in-source-fragment phantoms, sn-position over-claims, and invalid cross-class quantification. Use when naming or canonicalizing lipid species (shorthand separators, Goslin), deciding shotgun vs RP vs HILIC LC-MS, picking internal standards (SPLASH/EquiSPLASH), interpreting MS-DIAL/LipidSearch output, or comparing lipid classes. For general feature detection see metabolomics/xcms-preprocessing and metabolomics/msdial-preprocessing; for non-lipid annotation confidence see metabolomics/metabolite-annotation; for normalization/QC see metabolomics/normalization-qc; for multivariate stats see metabolomics/statistical-analysis.
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Reads, writes, and converts molecular file formats (SMILES, InChI, SDF V2000/V3000, MOL2, PDB, MMTF) using RDKit and Open Babel with rigorous handling of aromaticity perception, stereochemistry, implicit/explicit hydrogens, kekulization, and salt/fragment separation. Use when loading chemical libraries, debugging parse failures, or preparing molecules for downstream standardization, descriptor calculation, or docking.
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Turns untargeted LC-MS/MS features (m/z, RT, MS/MS) into confidence-stratified metabolite annotations using spectral-library matching (matchms), in-silico tools (SIRIUS/CSI:FingerID, MetFrag) and molecular networking, and assigns a defensible MSI/Schymanski confidence level to each. Use when naming detected features, scoring MS/MS against a reference library, running SIRIUS, or deciding what confidence level an evidence set actually supports. For upstream feature extraction see metabolomics/xcms-preprocessing and metabolomics/msdial-preprocessing; for downstream enrichment that must respect these levels see metabolomics/pathway-mapping; for lipid-specific structural annotation see metabolomics/lipidomics.
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Designs and validates quantitative targeted metabolomics assays (MRM/SRM on triple-quadrupole, PRM on high-resolution instruments) to report absolute concentrations. Covers the internal-standard strategy (external cal -> global IS -> standard addition -> stable-isotope-labeled IS), weighted calibration judged by back-calculated %RE not R-squared, ion-ratio quantifier/qualifier confirmation, matrix-effect/recovery characterization, and ICH M10 method validation. Use when quantifying a closed panel of known metabolites with units, building or validating an LC-MS/MS assay, choosing an IS or calibration weighting, or judging whether a reported concentration is trustworthy. For untargeted feature detection see metabolomics/xcms-preprocessing; for group statistics see metabolomics/statistical-analysis; for flux/MID/tracing see metabolomics/isotope-tracing.
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Programmatic untargeted LC-MS feature extraction in R with the modern xcms 4.x MsExperiment/XcmsExperiment API, taking raw mzML to a feature table via CentWave peak detection, retention-time alignment, peak-density correspondence, gap-filling, CAMERA redundancy collapse, and built-in QC feature filtering. Use when converting centroided LC-MS runs into a features-by-samples matrix and deciding centWave/grouping/alignment parameters. For drift correction and QC/CV filtering execution see metabolomics/normalization-qc; for metabolite identification see metabolomics/metabolite-annotation; for the MS-DIAL GUI alternative with MS2Dec deconvolution see metabolomics/msdial-preprocessing; for downstream statistics see metabolomics/statistical-analysis.
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Analyzes chemical libraries by scaffold using Bemis-Murcko scaffolds, generic frameworks, cyclic skeletons, matched molecular pair (MMP) analysis via mmpdb, R-group decomposition, Free-Wilson analysis, scaffold hopping, and chemotype-aware ML train/test splits. Use when identifying chemotype clusters in a library, deriving SAR transformation rules, decomposing series into R-groups, performing scaffold-balanced QSAR splits, or planning analog campaigns.
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Automated LLM-driven hypothesis generation and testing on tabular datasets. Use when you want to systematically explore hypotheses about patterns in empirical data (e.g., deception detection, content analysis). Combines literature insights with data-driven hypothesis testing. For manual hypothesis formulation use hypothesis-generation; for creative ideation use scientific-brainstorming.
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Standardizes molecular structures using ChEMBL chembl_structure_pipeline and RDKit rdMolStandardize covering sanitization, salt/solvent stripping, neutralization, tautomer canonicalization, stereochemistry standardization, mixture handling, and isotope normalization. Explicitly compares ChEMBL pipeline, canSARchem, and PubChem standardization choices. Use when preparing libraries for QSAR training, joining datasets across sources, deduplicating compound collections, or building canonical compound registries.
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Runs the MS-DIAL preprocessing workflow (peak picking, MS2Dec spectral deconvolution, alignment, gap-filling) and imports the alignment-result table into R or Python with honest filtering. Use when preprocessing LC-MS DDA/DIA (SWATH) raw data with MS-DIAL, deciding MS-DIAL vs XCMS, configuring the MsdialConsoleApp console run, or parsing an MS-DIAL export into a clean feature matrix. For programmatic R peak detection and the feature-table-as-artifact framing see metabolomics/xcms-preprocessing; for lipid annotation mode see metabolomics/lipidomics; for MSI-level confidence honesty see metabolomics/metabolite-annotation; for drift correction and QC see metabolomics/normalization-qc.
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Experimental data: discover and acquire raw or near-raw measurements, sample-level observations, and reusable datasets from sequencing, transcriptomics, single-cell, perturbation, proteomics, metabolomics, genomics, and structural-biology repositories. Use for study or sample metadata, matrices, reads, spectra, experimental structures, and downloadable research artifacts—not curated database assertions or reference marker collections.
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Stellar smart contract development (Rust, soroban-sdk). Entry point with project setup, contract anatomy, and build/deploy workflow, routing to three companion files in this directory — development.md (storage/TTL, authorization, cross-contract calls, tokens, events, errors, upgrades, fees, troubleshooting), testing.md (unit, fuzz, property, fork, mutation, integration), and security.md (vulnerability classes, checklists, tooling, audits). Use when writing, testing, reviewing, securing, debugging, or shipping Stellar smart contracts, including anything the user calls "Soroban" — Soroban contracts, soroban-sdk, Soroban auth/storage/TTL errors, SEP-41 tokens, or SAC integration from contract code.
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Cross-chain interoperability for Stellar. Entry point with a rail-selection decision table and shared pitfalls, routing to two companion files — cctp.md (Circle CCTP V2, native USDC burn-and-mint between Stellar and EVM/Solana chains, domain 27, the CctpForwarder requirement for Stellar recipients) and axelar.md (Axelar GMP for Soroban contracts calling contracts on other chains, and the Interchain Token Service for multichain tokens). Also covers NEAR Intents (intent-based cross-chain swaps into XLM or Stellar USDC) at the routing level. Use when bridging USDC to or from Stellar, sending messages between a Stellar contract and another blockchain, making a token exist on multiple chains, or adding cross-chain swaps to an app.
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Review UI code for Web Interface Guidelines compliance. Use when asked to "review my UI", "check accessibility", "audit design", "review UX", or "check my site against best practices".
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Before any PR that touches frontend, run the app and visually verify PT/EN pages on mobile and desktop. Use when finishing UI work or opening a frontend PR.
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Builds production-quality, accessible, responsive user-facing UIs. Use when building or modifying interfaces and pages, creating components, implementing layouts, meeting WCAG accessibility requirements, managing state, or when the output needs to look and feel production-quality rather than AI-generated.
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