「base」の検索結果

Enzyme kinetics — Michaelis-Menten Km, Vmax, kcat (turnover), and kcat/Km (catalytic efficiency / specificity constant) from substrate-velocity data, plus inhibition-mechanism analysis (competitive / uncompetitive / non-competitive, Ki). Fits the MM equation by nonlinear regression (and reports Lineweaver-Burk for reference). Use when you have substrate concentrations and initial reaction velocities and need kinetic parameters or to classify an inhibitor. NOT for BRENDA database lookups of published constants (use the BRENDA tools).

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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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Trace drug mechanism of action — primary target → downstream signaling → pathway perturbation → tissue/organ effect → clinical outcome. Uses DrugBank, ChEMBL, KEGG, Reactome, STRING. Use for understanding how a drug works, identifying off-target effects, mechanism-based combination therapy design, and writing mechanism sections of reports.

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Designs and analyzes stable-isotope-resolved metabolomics (SIRM / isotope tracing / fluxomics) experiments that measure metabolic ACTIVITY via 13C/15N/2H tracers, distinct from steady-state pool profiling. Covers tracer choice, isotopologue vs isotopomer, mass-isotopomer distributions (MID), fractional enrichment, the mandatory natural-abundance + tracer-purity correction (IsoCor, AccuCor), and the metabolic/isotopic steady-state vs non-stationary (INST-MFA) distinction. Use when feeding a labeled tracer and interpreting labeling patterns, correcting raw isotopologue intensities, computing or plotting an MID, or deciding tracing vs abundance profiling. For absolute pool concentration and MRM mechanics see metabolomics/targeted-analysis; for constraint-based genome-scale flux (FBA, not empirical tracing) see systems-biology/flux-balance-analysis; for feature detection see metabolomics/xcms-preprocessing; for pathway enrichment that ignores the pool-vs-flux caveat see metabolomics/pathway-mapping.

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Retrieve structurally similar compounds with known properties from ChEMBL/ZINC to ground predictions and inform optimization. Based on MolRAG (Xian 2025, ACL).

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Performs 3D shape-based similarity searching using ROCS (OpenEye), USRCAT (ultra-fast), Open3DAlign (RDKit), ESPSim (electrostatic), and ShaEP with explicit handling of Tanimoto-Combo (shape + color), shape vs ECFP4 complementarity, conformer-ensemble searching, alignment optimization, and scaffold hopping. Use when searching for shape-mimicking compounds with different scaffolds, identifying bioisosteric replacements, prospective scaffold hopping, or expanding hit series beyond 2D similarity.

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Interpretable ADMET analysis with mechanistic reasoning. Maps liabilities to structural causes and biological pathways. Based on CoTox (Park 2025) and DrugR (Liu 2026).

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Designs novel molecules using REINVENT 4 (de novo, scaffold decoration, linker design, R-group, molecular optimization), MolMIM, Diffusion-based generators (DiGress, DiffSMol), and JT-VAE with explicit handling of multi-parameter optimization (MPO), goal-directed scoring functions, transfer/reinforcement/curriculum learning, synthetic accessibility scoring, and chemical space exploration vs exploitation. Use when designing new chemical matter against a target, decorating a scaffold, linking fragments, or optimizing a hit for multiple ADMET / activity properties simultaneously.

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Builds QSAR / QSPR models using chemprop D-MPNN, MolFormer, Uni-Mol, ChemBERTa, random forest baselines, and Gaussian processes with explicit handling of OECD 5 principles, applicability domain (kNN, leverage, conformal prediction, Mahalanobis), scaffold-balanced splits, ensemble uncertainty, calibration (Platt, isotonic), feature importance (SHAP, atomic attribution), and prospective validation. Use when building target-specific predictive models from in-house bioassay data, ADMET endpoints, or selectivity profiles.

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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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Performs retrosynthetic planning using AiZynthFinder (MCTS, template-based), Chemformer (template-free transformer), ASKCOS, and emerging RetroSynFormer with explicit handling of route scoring, building-block availability (eMolecules, Enamine, Mcule), forward prediction validation (Molecular Transformer), and disconnection-aware multi-objective search (MO-MCTS). Use when assessing synthetic feasibility of generated or selected molecules, planning multi-step syntheses, building synthesis-aware design pipelines, or screening libraries for retro-route feasibility.

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Performs structure-based virtual screening using AutoDock Vina, SMINA, GNINA (CNN scoring), and DiffDock-L hybrid workflows with explicit choice rules across rigid vs flexible docking, cross-docking vs self-docking, binding-site detection (P2Rank, fpocket), receptor preparation (PDB2PQR, PROPKA), ligand preparation (meeko, OpenBabel), and ultralarge-library screening (ZINC22, Enamine REAL). Use when screening chemical libraries against a protein target to find candidate binders, ranking docking poses, or selecting a docking workflow for a specific scenario.

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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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Investigate errors, incidents, or product ideas using both internet research and repo-wide codebase research, then propose a concrete changeset plan with clarifying questions before any implementation. Use when a user asks to investigate, root-cause, or plan changes, or when an Issue or PR is referenced and needs a plan.

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Help users discover what to build on Stellar. Use when a user says "what should I build on Stellar", "Stellar app ideas", "I want to build on Stellar but don't know what", "Stellar startup ideas", "find me a Stellar project idea", "I'm new to Stellar and want to build something", or "what's hot on Stellar right now". Interviews user sharply, then proposes ranked ideas grounded in real ecosystem gaps from the LumenLoop 728-project database and current SCF funding patterns.

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Map the competitive landscape for a Stellar project idea. Use when a user says "who are my competitors on Stellar", "competitive analysis Stellar", "what already exists in this space on Stellar", "show me similar Stellar projects", "is anyone else building this on Stellar", or "map the Stellar landscape for X". Queries the 728-project LumenLoop ecosystem database and Electric Capital developer activity to rank competitors by SCF funding history and repo activity.

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Compile your local stellar-build usage traces into sharper skills. Use when the user says "optimize my skills", "optimize-skills", "improve my skills from usage", "learn from my traces", "stellar-loop optimize", or wants the learning loop to refine installed skills based on how they've actually been used. DSPy-style prompt optimization over the local trace store at ~/.stellar-build/traces — fully local, reversible.

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Validate and analyze budgets for SCF Build Award submissions. Use when reviewing whether a submission's budget is proportional, justified, and well-structured based on patterns from 215 funded Build Awards.

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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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Guided onboarding for OpenSpec - walk through a complete workflow cycle with narration and real codebase work.

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Survey a codebase's animation and motion code as a senior motion advisor, then produce a prioritized audit and self-contained implementation plans for other agents (or cheaper models) to execute. Read-only on source code — it plans improvements, it does not apply them. Use when the user asks to "improve the animations", "audit the motion", "make this app feel better", or wants a roadmap of animation fixes rather than a review of a single diff.

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Build an animation from scratch, making the decisions in the order that determines whether it feels right — should it animate at all, what purpose, which tool, which properties, which curve and duration, how it interrupts, how it exits. Writes the implementation. Use when asked to animate something, add motion, make a component feel alive, or build a transition. For critiquing existing motion use review-animations; for auditing a whole codebase use improve-animations.

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Continues Charted Coding work for a PR by routing to scaffold, red, or green based on design doc progress. Use when resuming work on a PR, continuing TDD after a break, or when the user invokes charted continue with a design doc and PR number.

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Writes work-in-progress code and tests based on design doc

日本語の概要は準備中です。原文の説明を表示しています。