chemical_property_profiling
openbooklet.com/s/chemicalpropertyprofilingopenbooklet.com/s/chemicalpropertyprofiling@1.0.0GET /api/v1/skills/chemicalpropertyprofilingChemical Property Profiling - Profile chemical properties: basic info, hydrophobicity, H-bonds, charges, and molecular complexity. Use this skill for physical chemistry tasks involving calculate mol basic info calculate mol hydrophobicity calculate mol hbond calculate mol charge calculate mol complexity. Combines 5 tools from 1 SCP server(s).
Affinity Maturation Pipeline - Affinity maturation: compute binding affinity, predict mutations, compute hydrophilicity, and predict drug-target interaction. Use this skill for antibody engineering tasks involving ComputeAffinityCalculator zero shot sequence prediction ComputeHydrophilicity PredictDrugTargetInteraction. Combines 4 tools from 3 SCP server(s).
Ring System Analysis - Analyze ring systems: count aliphatic carbocycles, analyze aromaticity, compute topology, and structure complexity. Use this skill for organic chemistry tasks involving GetAliphaticCarbocyclesNum AromaticityAnalyzer calculate mol topology calculate mol structure complexity. Combines 4 tools from 3 SCP server(s).
Antibody-Target Analysis - Analyze an antibody target: UniProt protein info, InterPro domains, protein properties, and biotherapeutic data from ChEMBL. Use this skill for immunology tasks involving get uniprotkb entry by accession query interpro ComputeProtPara get biotherapeutic by name. Combines 4 tools from 4 SCP server(s).
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 by gene name get associated targets by disease efoId clinvar search. Combines 4 tools from 4 SCP server(s).
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 sequence reports get taxonomy. Combines 4 tools from 1 SCP server(s).
Predict protein-ligand binding affinity using Boltz-2 model to assess molecular interactions and binding probability for drug discovery.
Calculate electrical capacitance from geometric parameters and dielectric properties for circuit design.
CAS Number Compound Lookup - Look up compounds by CAS: convert CAS to price/availability, get PubChem data, get ChEMBL info, and structure analysis. Use this skill for chemical information tasks involving CASToPrice get compound by name get molecule by name ChemicalStructureAnalyzer. Combines 4 tools from 4 SCP server(s).
Cell Line Assay Analysis - Analyze cell line assays: ChEMBL cell line info, assay search, activity data, and target info. Use this skill for cell biology tasks involving get cell line by id search assay search activity get target by name. Combines 4 tools from 1 SCP server(s).
Chemical Structure Comparison - Compare chemical structures: get SMILES, analyze structures, compute similarity, and check PubChem records. Use this skill for cheminformatics tasks involving NameToSMILES ChemicalStructureAnalyzer calculate smiles similarity get compound by name. Combines 4 tools from 4 SCP server(s).
Analyze chemical structures from compound names to retrieve SMILES, molecular formulas, molecular weight, and LogP values.
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. Combines 4 tools from 3 SCP server(s).
Clinical Pharmacology Report - Generate clinical pharmacology report: PK, PD, mechanism, drug interactions, and special populations. Use this skill for clinical pharmacology tasks involving get pharmacokinetics by drug name get pharmacodynamics by drug name get mechanism of action by drug name get drug interactions by drug name get geriatric use info by drug name. Combines 5 tools from 1 SCP server(s).
Computational Analysis via Code Execution - Execute custom computational analysis code, analyze software, and search for reference implementations. Use this skill for computational science tasks involving exec code software analysis search dataset search literature. Combines 4 tools from 2 SCP server(s).
Cross-Database Compound Lookup - Cross-reference compound across databases: PubChem, ChEMBL, KEGG, and CAS number lookup. Use this skill for chemical information tasks involving get compound by name get molecule by name kegg find CASToPrice. Combines 4 tools from 4 SCP server(s).
Compound-to-Drug Analysis Pipeline - Full compound-to-drug pipeline: name-to-SMILES conversion, structure analysis, drug-likeness, and FDA drug lookup. Use this skill for drug development tasks involving NameToSMILES ChemicalStructureAnalyzer calculate mol drug chemistry get drug by name. Combines 4 tools from 4 SCP server(s).
Retrieve SMILES strings from PubChem database using compound names to obtain molecular structures from common chemical names.
Disease Knowledge Graph - Build disease knowledge graph: OpenTargets targets, drugs, publications, and phenotypes. Use this skill for disease informatics tasks involving get associated targets by disease efoId get associated drugs by target name get publications by drug name get associated phenotypes by disease efoId. Combines 4 tools from 1 SCP server(s).
Predict a molecule's ability to reverse disease states using DLEPS (Disease-Ligand Embedding Projection Score) for drug repositioning and discovery.
Analyze DNA and RNA sequences including molecular weight calculation, reverse complement generation, and oligonucleotide properties.
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