InternScience/DrClaw - Page 3

compound-name-retrieval

Retrieve SMILES strings from PubChem database using compound names to obtain molecular structures from common chemical names.

functional-group-profiling

Functional Group Profiling - Profile functional groups: radical assignment, H-bond analysis, aromaticity, and abbreviation condensation. Use this skill for organic chemistry tasks involving AssignRadicals GetHBANum AromaticityAnalyzer…

material-density-volume-calculation

Calculate material density and volume from mass and geometric dimensions for materials mechanics analysis.

molecular-fingerprint-analysis

Molecular Fingerprint Analysis - Fingerprint analysis: topology descriptors, structure complexity, similarity calculation, and AromaticityAnalysis. Use this skill for cheminformatics tasks involving calculate mol topology calculate mol structure complexity…

molecular-properties-calculation

Calculate basic molecular properties from SMILES including molecular weight, formula, atom counts, and exact mass.

molecular-similarity-search

Search for similar molecules using Tanimoto similarity with Morgan fingerprints to identify structurally related compounds.

natural-product-analysis

Natural Product Analysis - Analyze natural products: name to SMILES, PubChem lookup, structural analysis, and KEGG natural product search. Use this skill for natural products chemistry tasks involving NameToSMILES search pubchem by name…

polymer-property-analysis

Polymer & Material Property Analysis - Analyze polymer properties: composition, symmetry, density, and lattice parameters for material design. Use this skill for polymer science tasks involving MaterialCompositionAnalyzer CalculateSymmetry CalculateDensity…

pubchem-deep-dive

PubChem Deep Dive Analysis - Deep dive into PubChem: compound info, bioassay summary, 3D conformers, synonyms, and general description. Use this skill for chemical databases tasks involving get pubchem compound by cid get assay summary by cid get conformers…

pubchem-smiles-search

Search PubChem database using SMILES strings to retrieve compound information and chemical properties.

smiles-to-cas-conversion

Convert SMILES strings to CAS registry numbers using material informatics tools to identify chemical substances.

substructure-activity-search

Substructure-Activity Relationship - Analyze substructure-activity: ChEMBL substructure search, activity data, PubChem compounds, and similarity. Use this skill for medicinal chemistry tasks involving get substructure by smiles search activity search pubchem…

atmospheric-science-calculations

Calculate atmospheric parameters including Coriolis parameter, geostrophic wind, heat index, potential temperature, and dewpoint for meteorology and climate science.

oceanographic-seawater-properties

Calculate seawater thermodynamic properties using TEOS-10 standard including density, salinity, sound speed, and freezing temperature for oceanography.

seawater-freezing-temperature

Calculate the freezing point temperature of seawater from absolute salinity and pressure using GSW thermodynamic equations.

seawater-sound-speed-calculation

Calculate sound speed in seawater from practical salinity, temperature, and pressure using the Gibbs Seawater Oceanographic Toolbox.

wind-site-assessment

Assess wind energy potential and perform site analysis using atmospheric science calculations.

biomarker-discovery

Biomarker Discovery Pipeline - Discover biomarkers: TCGA differential expression, NCBI gene data, OpenTargets associations, and clinical relevance. Use this skill for precision medicine tasks involving tcga differential expression analysis get gene metadata…

biosample-genomics

BioSample & Genome Cross-Reference - Cross-reference biosample and genome data: NCBI biosample, genome report, sequence reports, and taxonomy. Use this skill for genomics tasks involving get biosample report get genome dataset report by accession get genome…

chromosome-analysis

Chromosome Structure Analysis - Analyze chromosome: NCBI summary, UCSC cytoband, genome sequence, and Ensembl assembly info. Use this skill for cytogenetics tasks involving get chromosome summary get cytoband get chromosome sequence get info assembly.…

cross-species-genomics

Cross-Species Comparative Genomics - Compare genomes across species: Ensembl compara, alignment, gene trees, and NCBI taxonomy. Use this skill for comparative genomics tasks involving get info compara species sets get alignment region get genetree member…

ensembl-sequence-retrieval

Retrieve genomic sequences from Ensembl database using transcript or gene IDs to obtain nucleotide and protein sequences.

epigenomic-landscape

Epigenomic Landscape Mapping - Map epigenomic landscape: overlapping features, regulatory elements, binding matrices, and phenotype links. Use this skill for epigenomics tasks involving get overlap region get phenotype region get species binding matrix get…

gene-comprehensive-lookup

Gene Comprehensive Lookup - Comprehensive gene lookup: NCBI gene data, Ensembl gene info, UniProt protein data, and KEGG pathway links. Use this skill for bioinformatics tasks involving get gene metadata by gene name get lookup symbol get general info by…

gene-disease-association

Gene-Disease Association Analysis - Analyze gene-disease associations: NCBI gene metadata, OpenTargets disease associations, TCGA expression, and Monarch phenotypes. Use this skill for medical genetics tasks involving get gene metadata by gene name get…

gene-expression-atlas

Gene Expression Atlas - Build gene expression atlas: TCGA cancer expression, NCBI gene info, Ensembl gene details, and literature search. Use this skill for transcriptomics tasks involving get gene expression across cancers get gene metadata by gene name get…

gene-family-evolution

Gene Family Evolution Analysis - Analyze gene family evolution: CAFE gene tree, homology, Ensembl gene tree, and taxonomy. Use this skill for molecular evolution tasks involving get cafe genetree member symbol get homology symbol get genetree member symbol…

gene-therapy-target

Gene Therapy Target Analysis - Analyze gene therapy target: gene info, variant pathogenicity, protein structure, and clinical evidence. Use this skill for gene therapy tasks involving get gene metadata by gene name get vep hgvs Protein structure prediction…

genetic-counseling-report

Genetic Counseling Variant Report - Generate variant report for genetic counseling: VEP, ClinVar, gene phenotype, and literature evidence. Use this skill for clinical genetics tasks involving get vep hgvs clinvar search get phenotype gene pubmed search.…

genome-annotation

Genome Annotation Pipeline - Annotate a genome: NCBI annotation report, Ensembl gene lookup, UCSC tracks, and KEGG pathway links. Use this skill for genomics tasks involving get genome annotation report get lookup symbol list tracks kegg link. Combines 4…

go-term-analysis

Gene Ontology Analysis - Analyze GO terms: ChEMBL GO slim, STRING functional enrichment, STRING annotation, and Ensembl ontology. Use this skill for functional genomics tasks involving get go slim by id get functional enrichment get functional annotation get…

kegg-gene-search

Search KEGG database for gene information to retrieve pathway associations, functional annotations, and disease links.

microbiome-genomics

Microbiome Genomics Analysis - Analyze microbial genome: NCBI genome data, taxonomy, KEGG metabolic pathways, and annotation. Use this skill for metagenomics tasks involving get genome dataset report by taxon get taxonomy kegg find get genome annotation…

mouse-model-analysis

Mouse Model Disease Analysis - Analyze mouse disease models: MouseMine search, NCBI mouse gene data, Ensembl cross-species comparison, and orthologs. Use this skill for model organisms tasks involving mousemine search get gene metadata by gene name get…

multiomics-integration

Multi-Omics Integration - Integrate multi-omics: gene expression, protein data, pathway enrichment, and metabolic pathways. Use this skill for multi-omics tasks involving get gene expression across cancers get uniprotkb entry by accession get functional…

multispecies-gene-analysis

Multi-Species Gene Analysis - Analyze gene across species: Ensembl homologs, NCBI orthologs, cross-species STRING similarity, and taxonomy. Use this skill for comparative genomics tasks involving get homology symbol get gene orthologs get best similarity hits…

ncbi-gene-deep-dive

NCBI Gene Deep Dive - Deep dive into NCBI gene: metadata, dataset report, product report, orthologs, and gene links. Use this skill for gene biology tasks involving get gene metadata by gene name get gene dataset report by id get gene product report by id get…

ncbi-gene-retrieval

Retrieve gene information from NCBI Gene database by gene IDs to obtain genomic details, function, and expression data.

organism-classification

Organism Classification & Database - Classify organism: NCBI taxonomy, Ensembl taxonomy, ChEMBL organisms, and genome info. Use this skill for taxonomy tasks involving get taxonomy get taxonomy id get organism by id get genome dataset report by taxon.…

phenotype-by-hpo-id

Retrieve phenotype information from Monarch Initiative using HPO (Human Phenotype Ontology) IDs to understand disease manifestations.