AI for Drug Discovery

AI is revolutionizing drug discovery by accelerating candidate identification.

python
Protein structure analysis with AI
from openai import OpenAI
client = OpenAI()
def analyze_compound(smiles: str) -> dict:
    r = client.chat.completions.create(
        model="gpt-4o",
        messages=[{"role":"user","content":f"Analyze SMILES compound: {smiles}"}]
    )
    return {"analysis": r.choices[0].message.content}

Applications: protein folding, compound screening, ADMET prediction.