Commit 8ecf0d5
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Add 22 new tools: PharmacoDB, SYNERGxDB, CancerPrognosis, NEB Tm, Add… (#92)
* Add 22 new tools: PharmacoDB, SYNERGxDB, CancerPrognosis, NEB Tm, Addgene
New tool groups:
- PharmacoDB (6): search/get compound, cell line, experiments, datasets, biomarker associations via GraphQL API
- SYNERGxDB (7): search combos, get matrix/drug/stats, list drugs/cell lines/datasets
- CancerPrognosis (4): survival data, gene expression, study search/summary via cBioPortal
- NEB Tm Calculator (2): calculate Tm/Ta for primers, list NEB polymerases
- Addgene (3): search/get plasmids, search depositors (requires ADDGENE_API_KEY)
All tools: 100% pass rate, 100% schema valid across 24 integration tests
* Add 11 tools: ZINC20, SwissTargetPrediction, IDT OligoAnalyzer, DrugSynergy extensions
Workflow gaps filled:
- ZINC20 (5): search/get purchasable compounds, SMILES similarity, Lipinski property filter
(step before IBM RXN synthesis and PharmacoDB drug sensitivity)
- SwissTargetPrediction (2): predict protein targets from SMILES, list organisms
(step before PharmacoDB; correctly identifies COX1/COX2 for aspirin)
- IDT OligoAnalyzer (2): comprehensive oligo Tm/GC/MW/extinction, self-dimer risk assessment
(step alongside NEB_Tm for primer QC before ordering)
- DrugSynergy extensions (2): Loewe additivity index, Chou-Talalay combination index
(completes synergy toolkit: Bliss/HSA/ZIP/Loewe/CI now all available)
All 11 tools: 20/20 tests pass, 0 schema invalid
Notes: REBASE down (NEB site returning errors), NCI DTP no public REST API,
SynergyFinder is R Shiny app (no REST API)
* Fix SwissTargetPrediction User-Agent: server rejects bot-style UA strings
* Add 17 tools: IntOGen, Mcule, PDC, MEME Suite
- IntOGen (4 tools): cancer driver gene identification
- IntOGen_get_drivers, IntOGen_get_gene_info, IntOGen_list_cohorts,
IntOGen_list_cancer_types (HTML scraping, embedded JSON parsing)
- Mcule (4 tools): compound purchasing and lookup
- Mcule_lookup_compound, Mcule_get_compound, Mcule_list_databases,
Mcule_get_database (public endpoints + optional MCULE_API_KEY)
- PDC (5 tools): NCI Proteomics Data Commons
- PDC_search_studies, PDC_get_gene_protein, PDC_list_programs,
PDC_get_study_summary, PDC_get_clinical_data (GraphQL API)
- MEME Suite (4 tools): motif discovery and scanning
- MEME_fimo_scan, MEME_discover_motifs, MEME_tomtom_compare,
MEME_list_databases (multipart form POST, XML status polling)
All 23 tests pass (100%), 0 schema invalid
* Add 14 tools: CellMarker, ProteomicsDB, SwissADME
- CellMarker 2.0 (4 tools): cell type marker database for scRNA-seq annotation
- search_by_gene, search_by_cell_type, list_cell_types, search_cancer_markers
- HTML scraping (3,000+ cell types, 30,000+ marker genes)
- ProteomicsDB (4 tools): MS-based human proteome expression
- get_protein_expression, search_proteins, get_expression_summary, list_tissues
- SAP XSEngine + OData v2 APIs; TP53 expressed in 340 sources
- SwissADME (2 tools): ADMET/drug-likeness prediction from SMILES
- calculate_adme (49 properties: lipophilicity, solubility, PK, drug-likeness)
- check_druglikeness (Lipinski/Ghose/Veber/Egan/Muegge filters + PAINS)
- HTML form POST → CSV result parsing
All 17 tests pass (100%), 0 schema invalid
* Add 4 MetaboAnalyst tools: pathway enrichment and metabolite ID mapping
Uses KEGG REST API for compound resolution and pathway-metabolite mappings,
with local scipy-based hypergeometric enrichment + BH FDR correction.
Hybrid approach due to MetaboAnalyst REST API returning HTTP 500 errors.
Tools added:
- MetaboAnalyst_pathway_enrichment: ORA against KEGG metabolic pathways
- MetaboAnalyst_name_to_id: Map metabolite names to KEGG/HMDB/PubChem IDs
- MetaboAnalyst_get_pathway_library: Browse KEGG pathways by species
- MetaboAnalyst_biomarker_enrichment: Enrichment against 20 curated metabolite sets
7/7 tests passing (100%)
* Add broken_apis tracking folder for confirmed non-functional APIs
Establishes a workflow for documenting APIs that fail after multiple
investigation attempts, so future agents skip them and use workarounds.
Files:
- data/broken_apis/README.md: folder purpose, retry policy, entry format
- data/broken_apis/metaboanalyst_rest.json: first entry — MetaboAnalyst
public REST API (rest.xialab.ca/api/mapcompounds) broken since Dec 2024.
Root cause: servlet is broken; internal R API requires binary .rds
serialization not accessible from Python. Workaround: KEGG + scipy.
* Fix null/weak return_schema in 11 tool configs (49 tools)
Audit identified tools where return_schema was null or used
loose {"type":"object"} with no properties, causing schema
validation to be silently skipped in test_new_tools.py.
Fixed files and affected tools:
- ncbi_nucleotide_tools.json: 3 tools (search, fetch, get_sequence)
- ncbi_sra_tools.json: 4 tools (search, run_info, download_urls, biosample)
- nvidia_nim_tools.json: 16 tools (structure prediction, ESMFold, imaging)
- biogrid_tools.json: 3 tools (additionalProperties pattern for dict-of-objects)
- pharmgkb_tools.json: 4 tools (fixed field type mismatches)
- chipatlas_tools.json: 4 tools (experiment, peak, enrichment, liftover)
- biomodels_tools.json: 2 tools (list_files, search_parameters)
- pubchem_tools.json: 2 assay tools (assay summary, assay data)
- cellxgene_census_tools.json: 2 tools (obs, var queries)
- emdb_tools.json: 1 tool (search_structures array fix)
- mcp_auto_loader_esm.json: 1 tool (additionalProperties)
All 11 files: 100% tests pass, Schema Valid count now non-zero.
* Bump version to 1.0.221 parent 1304bf8 commit 8ecf0d5
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