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 MofLattice. Combines 4 tools from 2 SCP server(s).
Search for similar molecules using Tanimoto similarity with Morgan fingerprints to identify structurally related compounds.
Lead Compound Optimization - Optimize a lead compound: validate SMILES, compute drug-likeness, predict ADMET properties, and check ChEMBL bioactivity. Use this skill for medicinal chemistry tasks involving is valid smiles calculate mol drug chemistry pred molecule admet search activity. Combines 4 tools from 3 SCP server(s).
Protein Solubility Optimization - Optimize protein solubility: calculate properties, predict solubility, predict hydrophilicity, and suggest mutations. Use this skill for protein engineering tasks involving calculate protein sequence properties predict protein function ComputeHydrophilicity zero shot sequence prediction. Combines 4 tools from 3 SCP server(s).
Virtual Screening Pipeline - Virtual screening: search PubChem by substructure, compute similarity, filter by drug-likeness, and predict binding affinity. Use this skill for drug discovery tasks involving search pubchem by smiles calculate smiles similarity calculate mol drug chemistry boltz binding affinity. Combines 4 tools from 3 SCP server(s).
Pediatric Drug Safety Review - Evaluate pediatric drug safety: pediatric use info, child safety, dosage forms, and overdosage info from FDA. Use this skill for pediatric pharmacology tasks involving get pediatric use info by drug name get child safety info by drug name get dosage forms and strengths by drug name get overdosage info by drug name. Combines 4 tools from 1 SCP server(s).
Enzyme Inhibitor Design - Design enzyme inhibitor: target structure, pocket prediction, compound screening, and ADMET assessment. Use this skill for enzyme pharmacology tasks involving retrieve protein data by pdbcode pred pocket prank quick molecule docking pred molecule admet calculate mol drug chemistry. Combines 5 tools from 2 SCP server(s).
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 CondenseAbbreviationSubstanceGroups. Combines 4 tools from 2 SCP server(s).
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 by smiles calculate smiles similarity. Combines 4 tools from 3 SCP server(s).
Enzyme Active Site Engineering - Engineer enzyme: identify active site residues, predict pocket, analyze binding site, and predict mutations. Use this skill for enzymology tasks involving predict functional residue run fpocket get binding site by id pred mutant sequence. Combines 4 tools from 3 SCP server(s).
Substance Toxicology Report - Toxicology report: PubChem substance data, FDA toxicology, carcinogenicity data, and environmental warnings. Use this skill for toxicology tasks involving get substance by name get nonclinical toxicology info by drug name get carcinogenic mutagenic fertility impairment info by drug name get environmental warning by drug name. Combines 4 tools from 2 SCP server(s).
Convert SMILES strings to CAS registry numbers using material informatics tools to identify chemical substances.
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 by cid get compound synonyms by name get general info by compound name. Combines 5 tools from 1 SCP server(s).
Search PubChem database using SMILES strings to retrieve compound information and chemical properties.
Drug Toxicity Assessment - Comprehensive toxicity assessment: FDA adverse reactions, nonclinical toxicology, carcinogenicity data, and ADMET prediction. Use this skill for toxicology tasks involving get adverse reactions by drug name get nonclinical toxicology info by drug name get carcinogenic mutagenic fertility impairment info by drug name pred molecule admet. Combines 4 tools from 2 SCP server(s).
Precision Oncology Workflow - Precision oncology: tumor expression profiling, variant analysis, targeted therapy lookup, and clinical trials. Use this skill for precision oncology tasks involving get gene expression across cancers get vep hgvs get associated drugs by target name get clinical studies info by drug name pubmed search. Combines 5 tools from 5 SCP server(s).
Pharmacokinetics Profile Builder - Build a PK profile: FDA pharmacokinetics, clinical pharmacology, dosage info, and molecular properties. Use this skill for pharmacology tasks involving get pharmacokinetics by drug name get clinical pharmacology by drug name get dosage and storage information by drug name get compound by name. Combines 4 tools from 2 SCP server(s).
Protein-Drug Interaction Profiling - Profile protein-drug interactions: protein properties, drug structure, binding affinity prediction, and interaction data. Use this skill for molecular pharmacology tasks involving calculate protein sequence properties ChemicalStructureAnalyzer boltz binding affinity PredictDrugTargetInteraction. Combines 4 tools from 4 SCP server(s).
ADMET & Drug-Likeness Report - Generate comprehensive ADMET and drug-likeness report: molecular properties, H-bond analysis, hydrophobicity, topology, and ADMET prediction. Use this skill for medicinal chemistry tasks involving calculate mol basic info calculate mol hbond calculate mol hydrophobicity calculate mol topology pred molecule admet. Combines 5 tools from 2 SCP server(s).
Antibody Drug Development - Develop antibody drug: target protein analysis, biotherapeutic lookup, protein properties, and interaction prediction. Use this skill for biologics tasks involving get uniprotkb entry by accession get biotherapeutic by name ComputeProtPara ComputeHydrophilicity. Combines 4 tools from 3 SCP server(s).
Alanine Scanning Mutagenesis Pipeline - Alanine scanning: design scan, compute properties for each mutant, predict interactions, and compare. Use this skill for protein biochemistry tasks involving AlanineScanningDesigner ComputeProtPara PredictDrugTargetInteraction calculate protein sequence properties. Combines 4 tools from 3 SCP server(s).
ATC Drug Classification Lookup - Look up drug in ATC classification: ChEMBL ATC class, FDA drug info, PubChem compound, and mechanism of action. Use this skill for pharmacology tasks involving get atc class by level5 get mechanism of action by drug name get compound by name get drug by name. Combines 4 tools from 3 SCP server(s).
Gene-to-Drug Discovery Pipeline - Full gene-to-drug pipeline: gene lookup, protein structure, binding pocket, virtual screening, and drug-likeness. Use this skill for translational medicine tasks involving get gene metadata by gene name pred protein structure esmfold run fpocket boltz binding affinity calculate mol drug chemistry. Combines 5 tools from 3 SCP server(s).
Drug-Drug Interaction Checker - Check interactions between multiple drugs using FDA interaction data, PubChem compound info, and ChEMBL target overlap analysis. Use this skill for clinical pharmacology tasks involving get drug interactions by drug name get compound by name get target by name. Combines 3 tools from 3 SCP server(s).
