「chemistry」の検索結果

Detects cancer and infers tissue-of-origin from cfDNA methylation by choosing conversion chemistry (bisulfite vs EM-seq vs TAPS vs cfMeDIP), calling read-level methylation haplotypes rather than averaged beta values, and deconvolving a hematopoietic-dominated cfDNA mixture against a methylation atlas via NNLS/quadratic programming. Encodes the GRAIL/CCGA thesis that thousands of tissue-specific markers make methylation outperform sparse mutations for multi-cancer early detection (MCED) and localization, and that single concordantly-methylated fragments give ppm-level sensitivity. Uses MethylDackel for extraction (mbias-then-extract), MEDIPS/QSEA for enrichment data, scipy.optimize.nnls for deconvolution. Use when building an MCED or methylation-MRD assay, picking a conversion chemistry for low-input plasma, or deconvolving tissue-of-origin from cfDNA.

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Analyzes alternative splicing at single-cell resolution. The first decision is library chemistry — 10X 3' is fundamentally limited (RT primes from poly-A, R2 falls in 3' UTR, <0.1 junction read per cell per AS event). Plate-based full-length methods (Smart-seq3, FLASH-seq, VASA-seq, STORM-seq) and single-cell long-read (MAS-Iso-seq, scISOr-Seq2) are the chemistries that give per-cell isoform structure. Tools include MARVEL (R, Smart-seq integrated), BRIE2 (Bayesian PSI with regulatory features and ELBO_gain test), scQuint (junction-cluster, plate-based; not for 10X), SpliZ (annotation-free Z-score), Psix (graph-smoothness regulated AS), and Sierra (alternative polyadenylation, often confused with AS). Use when analyzing isoform usage in scRNA-seq, identifying cell-type-specific splicing, or determining whether scRNA-seq chemistry supports splicing analysis at all.

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Rowan is a cloud-native molecular modeling and medicinal-chemistry workflow platform with a Python API. Use for pKa and macropKa prediction, conformer and tautomer ensembles, docking and analogue docking, protein-ligand cofolding, MSA generation, molecular dynamics, permeability, descriptor workflows, and related small-molecule or protein modeling tasks. Ideal for programmatic batch screening, multi-step chemistry pipelines, and workflows that would otherwise require maintaining local HPC/GPU infrastructure.

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Use when a task needs the judgment of a Postsecondary Chemistry Teacher — grading a lab report where the numeric result misses the "expected" value but the methodology is sound, distinguishing a conceptual misunderstanding from an arithmetic slip on a problem set, deciding how much procedural freedom to give students on an open-ended lab, or vetting whether a demo/lab procedure is safe to run in this specific room.

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Tropospheric and stratospheric chemistry — ozone, aerosols, lifetimes, and reading chemical transport model output.

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Expert-level battery technology covering electrochemistry, lithium-ion battery physics, battery management systems, degradation mechanisms, and next-generation battery chemistries.

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Expert-level thermochemistry knowledge. Use when working with enthalpy, calorimetry, Hess's law, bond energies, heat of formation, heat of combustion, heat capacity, thermodynamic cycles, or reaction energetics. Also use when the user mentions 'enthalpy', 'Hess law', 'calorimetry', 'heat of formation', 'heat of combustion', 'bond energy', 'specific heat', 'calorimeter', 'endothermic', 'exothermic', 'standard state', or 'thermodynamic cycle'.

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Expert-level polymer chemistry knowledge. Use when working with polymerization mechanisms, polymer structure, molecular weight, mechanical properties, thermal analysis, rubber elasticity, polymer processing, or biopolymers. Also use when the user mentions 'polymerization', 'monomer', 'molecular weight', 'glass transition', 'crystallinity', 'elastomer', 'thermoplastic', 'thermoset', 'chain growth', 'step growth', 'living polymerization', or 'polymer blend'.

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Expert-level biochemistry knowledge. Use when working with proteins, enzymes, metabolism, DNA, RNA, carbohydrates, lipids, cell signaling, or bioenergetics. Also use when the user mentions 'enzyme kinetics', 'metabolism', 'glycolysis', 'Krebs cycle', 'DNA replication', 'protein folding', 'amino acids', 'ATP', 'oxidative phosphorylation', 'gene expression', 'lipid bilayer', or 'signal transduction'.

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Expert-level medicinal chemistry knowledge. Use when working with drug design, structure-activity relationships, ADMET properties, pharmacophores, lead optimization, target identification, drug metabolism, or pharmaceutical development. Also use when the user mentions 'SAR', 'drug design', 'pharmacophore', 'ADMET', 'lead compound', 'hit to lead', 'drug metabolism', 'bioavailability', 'selectivity', 'binding affinity', 'scaffold hopping', or 'bioisostere'.

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Expert-level electrochemistry knowledge. Use when working with electrochemical cells, electrode potentials, Nernst equation, electrolysis, batteries, fuel cells, corrosion, electroplating, or electroanalytical methods. Also use when the user mentions 'galvanic cell', 'electrolytic cell', 'electrode potential', 'Nernst equation', 'overpotential', 'Butler-Volmer', 'battery', 'fuel cell', 'corrosion', 'electroplating', 'cyclic voltammetry', or 'impedance spectroscopy'.

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Organic chemistry reasoning guide for reaction product prediction, mechanism analysis (electrophilic/nucleophilic substitution, addition, elimination, pericyclic, radical), and spectroscopy interpretation (1H/13C NMR, IR, MS). Reasons from first principles (electron flow, kinetic vs thermodynamic) rather than pattern-matching named reactions. Use for organic synthesis problems and mechanism explanations.

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Analyzes alternative splicing at single-cell resolution. The first decision is library chemistry — 10X 3' is fundamentally limited (RT primes from poly-A, R2 falls in 3' UTR, <0.1 junction read per cell per AS event). Plate-based full-length methods (Smart-seq3, FLASH-seq, VASA-seq, STORM-seq) and single-cell long-read (MAS-Iso-seq, scISOr-Seq2) are the chemistries that give per-cell isoform structure. Tools include MARVEL (R, Smart-seq integrated), BRIE2 (Bayesian PSI with regulatory features and ELBO_gain test), scQuint (junction-cluster, plate-based; not for 10X), SpliZ (annotation-free Z-score), Psix (graph-smoothness regulated AS), and Sierra (alternative polyadenylation, often confused with AS). Use when analyzing isoform usage in scRNA-seq, identifying cell-type-specific splicing, or determining whether scRNA-seq chemistry supports splicing analysis at all.

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Extract EPA/NADP tDEP atmospheric deposition and NADP precipitation chemistry rasters for an AmeriFlux or EcoSIM site. Use when deriving atmospheric chemistry inputs such as NH4, NO3, SO4, Ca, or precipitation pH for EcoSIM forcing workflows.

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Estimate calcium-normalized Gapon selectivity coefficients from paired exchange and solution chemistry, or initialize depth-explicit EcoSIM Gapon inputs from the closest bundled ecosystem template when paired chemistry is unavailable. Use when deriving or checking EcoSIM GKC4, GKCH, GKCA, GKCM, GKCN, or GKCK values; matching a target ecosystem, climate, vegetation, and management regime to a starting profile; remapping template values to target soil layers; or documenting that template-based values require calibration or tuning.

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Modify reagents, solutions, reactions, transfers, metabolism, effects, containers, and chemistry UI safely.

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Analyzes alternative splicing at single-cell resolution. The first decision is library chemistry — 10X 3' is fundamentally limited (RT primes from poly-A, R2 falls in 3' UTR, <0.1 junction read per cell per AS event). Plate-based full-length methods (Smart-seq3, FLASH-seq, VASA-seq, STORM-seq) and single-cell long-read (MAS-Iso-seq, scISOr-Seq2) are the chemistries that give per-cell isoform structure. Tools include MARVEL (R, Smart-seq integrated), BRIE2 (Bayesian PSI with regulatory features and ELBO_gain test), scQuint (junction-cluster, plate-based; not for 10X), SpliZ (annotation-free Z-score), Psix (graph-smoothness regulated AS), and Sierra (alternative polyadenylation, often confused with AS). Use when analyzing isoform usage in scRNA-seq, identifying cell-type-specific splicing, or determining whether scRNA-seq chemistry supports splicing analysis at all.

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Generate flat, minimal light/dark-aware SVG diagrams as standalone HTML files, using a unified educational visual language with 9 semantic color ramps, sentence-case typography, and automatic dark mode. Best suited for educational and non-software visuals — physics setups, chemistry mechanisms, math curves, physical objects (aircraft, turbines, smartphones, mechanical watches), anatomy, floor plans, cross-sections, narrative journeys (lifecycle of X, process of Y), hub-spoke system integrations (smart city, IoT), and exploded layer views. If a more specialized skill exists for the subject (dedicated software/cloud architecture, hand-drawn sketches, animated explainers, etc.), prefer that — otherwise this skill can also serve as a general-purpose SVG diagram fallback with a clean educational look. Ships with 15 example diagrams.

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Discovers and evaluates scientific datasets, models, methodology posts, and Spaces through the Hugging Science catalog. Used when selecting scientific ML resources in biology, chemistry, genomics, materials, climate, physics, astronomy, medicine, mathematics, protein design, single-cell analysis, or PDE modeling, and when checking their actual datasets, Transformers, native-runtime, Inference Providers, or Gradio interfaces.

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Applies medicinal chemistry filters for compound triage, using drug-likeness rules (Lipinski, Veber, CNS), structural alert catalogs (PAINS, NIBR, ChEMBL), complexity metrics, and the medchem query language for library filtering.

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Builds molecular property prediction and MoleculeNet workflows with DeepChem, including SMILES featurization, scaffold or grouped holdouts, masked labels, graph models and explicit pretrained encoder transfer. Used for ADMET, toxicity, solubility and chemistry ML when DeepChem data/model contracts and scientific validation are needed.

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Perform comprehensive exploratory data analysis on scientific data files across 200+ file formats. This skill should be used when analyzing any scientific data file to understand its structure, content, quality, and characteristics. Automatically detects file type and generates detailed markdown reports with format-specific analysis, quality metrics, and downstream analysis recommendations. Covers chemistry, bioinformatics, microscopy, spectroscopy, proteomics, metabolomics, and general scientific data formats.

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Check if medicinal chemistry papers are in ChEMBL database to access curated bioactivity data

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。

Perform comprehensive exploratory data analysis on scientific data files across 200+ file formats. This skill should be used when analyzing any scientific data file to understand its structure, content, quality, and characteristics. Automatically detects file type and generates detailed markdown reports with format-specific analysis, quality metrics, and downstream analysis recommendations. Covers chemistry, bioinformatics, microscopy, spectroscopy, proteomics, metabolomics, and general scientific data formats.

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。