Update README.md

README.md

@@ -17,36 +17,31 @@ short_description: app to generate and view beta-lactam molecules
 
 This application demonstrates a drug discovery pipeline that allows users to:
 
-* Generate novel beta-lactam molecules using a generative AI model.
+* Generate novel beta-lactam molecules using a generative AI model that was fine-tuned with beta-lactam structures.
 * View the generated molecules with options to display and copy SMILES or SAFE strings.
 * Predict ADMET properties for the generated molecules using ADMET-AI.
 
 ## Features
 
 * Molecule Generation:
-  * Generates up to 5 beta-lactam molecules at a time.
-  * Users can adjust the creativity (temperature) of the generation process.
-  * Generated molecules are named 'Mol01' to 'Mol05'.
+  * Generates up to 3 beta-lactam molecules at a time.
+  * Users can adjust the creativity (temperature) of the generation process. Higher number leads to more diverse output. 
+  * Generated molecules are named 'Mol01' to 'Mol03'.
 * Molecule Viewing:
   * Displays molecule structures using Streamlit.
-  * Option to view molecules as SMILES or SAFE strings.
-  * Provides copy-to-clipboard functionality for molecule strings.
+  * Option to view molecules as SMILES or SAFE encodings.
 * ADMET Property Prediction:
-  * Integrates ADMET-AI to predict properties such as absorption, distribution, metabolism, excretion, and toxicity.
-  * Displays predicted properties alongside each molecule.
+  * Integrates ADMET-AI to predict select properties. 
+  * Displays predicted properties of each molecule.
 
 ## How to Use the App
 
 1. Set Generation Parameters:
   * Use the sidebar to adjust the creativity (temperature) slider.
-  * Select the number of molecules to generate (maximum of 5).
-2. Choose String Format:
-  * Select whether to display molecule strings as SMILES or SAFE.
-3. Generate Molecules:
+  * Select the number of molecules to generate (maximum of 3).
+2. Generate Molecules:
   * Click the 'Generate Molecules' button.
   * Generated molecules will appear with their structures, strings, and predicted ADMET properties.
-4. Copy Molecule Strings:
-  * Use the 'Copy' button under each molecule to copy the SMILES or SAFE string to your clipboard.