drug-discovery-search

安装量: 51
排名: #14517

安装

npx skills add https://github.com/yorkeccak/scientific-skills --skill drug-discovery-search

Drug Discovery Search

Search across all major drug discovery databases (ChEMBL, DrugBank, FDA drug labels, Open Targets) simultaneously using natural language queries powered by Valyu's semantic search API.

Why This Skill is Powerful No API Parameter Parsing: Just pass natural language queries directly - no need to construct complex search parameters Semantic Search: Understands the meaning of your query, not just keyword matching Full-Text Access: Returns complete compound, target, and drug information Image Links: Includes molecular structures and data visualizations Comprehensive Coverage: Search across ChEMBL, DrugBank, drug labels, and Open Targets simultaneously Unified Results: Get results from all drug discovery sources in a single query Requirements Node.js 18+ (uses built-in fetch) Valyu API key from https://platform.valyu.ai ($10 free credits) CRITICAL: Script Path Resolution

The scripts/search commands in this documentation are relative to this skill's installation directory.

Before running any command, locate the script using:

DRUG_DISCOVERY_SCRIPT=$(find ~/.claude/plugins/cache -name "search" -path "/drug-discovery-search//scripts/*" -type f 2>/dev/null | head -1)

Then use the full path for all commands:

$DRUG_DISCOVERY_SCRIPT "JAK2 inhibitors" 20

API Key Setup Flow

When you run a search and receive "setup_required": true, follow this flow:

Ask the user for their API key: "To search drug discovery databases, I need your Valyu API key. Get one free ($10 credits) at https://platform.valyu.ai"

Once the user provides the key, run:

scripts/search setup

Retry the original search.

When to Use This Skill End-to-end drug discovery information Target validation through compounds and trials Complete drug development information Compound optimization with target data Safety and efficacy research Output Format { "success": true, "type": "drug_discovery_search", "query": "JAK2 inhibitors", "result_count": 20, "results": [ { "title": "Compound/Drug/Target Title", "url": "https://...", "content": "Full data including compounds, targets, mechanisms...", "source": "chembl|drugbank|drug-labels|open-targets", "relevance_score": 0.95, "images": ["https://example.com/structure.png"] } ], "cost": 0.035 }

Processing Results With jq

Get titles

scripts/search "query" 20 | jq -r '.results[].title'

Get URLs

scripts/search "query" 20 | jq -r '.results[].url'

Extract full content

scripts/search "query" 20 | jq -r '.results[].content'

Filter by source

scripts/search "query" 20 | jq -r '.results[] | select(.source == "chembl") | .title'

Common Use Cases Target Identification

Find validated targets and compounds

scripts/search "BTK inhibitors for autoimmune diseases" 50

Lead Optimization

Search SAR and compound data

scripts/search "EGFR inhibitors blood-brain barrier penetration" 40

Drug Repurposing

Find repurposing opportunities

scripts/search "mTOR inhibitors cancer and aging" 30

Safety Assessment

Gather safety and interaction data

scripts/search "tyrosine kinase inhibitors cardiac toxicity" 60

Error Handling

All commands return JSON with success field:

{ "success": false, "error": "Error message" }

Exit codes:

0 - Success 1 - Error (check JSON for details) API Endpoint Base URL: https://api.valyu.ai/v1 Endpoint: /search Authentication: X-API-Key header Architecture scripts/ ├── search # Bash wrapper └── search.mjs # Node.js CLI

Direct API calls using Node.js built-in fetch(), zero external dependencies.

Adding to Your Project

If you're building an AI project and want to integrate Drug Discovery Search directly into your application, use the Valyu SDK:

Python Integration from valyu import Valyu

client = Valyu(api_key="your-api-key")

response = client.search( query="your search query here", included_sources=["valyu/valyu-chembl", "valyu/valyu-drugbank", "valyu/valyu-drug-labels", "valyu/valyu-open-targets"], max_results=20 )

for result in response["results"]: print(f"Title: {result['title']}") print(f"URL: {result['url']}") print(f"Content: {result['content'][:500]}...")

TypeScript Integration import { Valyu } from "valyu-js";

const client = new Valyu("your-api-key");

const response = await client.search({ query: "your search query here", includedSources: ["valyu/valyu-chembl", "valyu/valyu-drugbank", "valyu/valyu-drug-labels", "valyu/valyu-open-targets"], maxResults: 20 });

response.results.forEach((result) => { console.log(Title: ${result.title}); console.log(URL: ${result.url}); console.log(Content: ${result.content.substring(0, 500)}...); });

See the Valyu docs for full integration examples and SDK reference.

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