chemoai.py

from flask import Flask, render_template, request
import openai
import json
import os

app = Flask(__name__)

# Set up OpenAI API credentials
openai.api_key = os.environ.get("OPENAI_API_KEY")

# Define function to generate drug properties and follow-up prompts
def get_drug_properties(input_molecule):
    try:
        # Call OpenAI API to generate drug properties
        response = openai.Completion.create(
            engine="text-davinci-002",
            prompt="Get drug properties for " + input_molecule + ".\n\nProperties:\n- Target disease\n- Molecular weight\n- Pharmacokinetic profile\n- Toxicity\n- Mechanism of action\n- Side effects\n- Potential drug interactions",
            max_tokens=1024,
            n=1,
            stop=None,
            temperature=0.5,
        )

        # Parse response and extract drug properties
        output_text = response.choices[0].text
        drug_properties = json.loads(output_text)

        # Define follow-up prompts
        follow_up_prompts = ["Would you like to learn more about the side effects of this drug?",
                             "Do you want to know about the clinical trials for this drug?",
                             "Would you like to learn about alternative treatments for this condition?"]

        # Return drug properties and follow-up prompts
        return (drug_properties, follow_up_prompts)
    except Exception as e:
        print(f"Error: {e}")
        return None

@app.route('/')
def home():
    return render_template('index.html')

@app.route('/drug_properties', methods=['POST'])
def drug_properties():
    molecule_name = request.form['molecule_name']
    result = get_drug_properties(molecule_name)

    if result is None:
        return render_template('error.html', error_message="Failed to get drug properties.")
    else:
        drug_properties, follow_up_prompts = result
        return render_template('drug_properties.html', drug_properties=drug_properties, follow_up_prompts=follow_up_prompts)

if __name__ == '__main__':
    app.run(debug=True)