Welcome to ResinTox!

This toolkit is designed to provide a suite of powerful analysis and simulation tools for toxicology and chemistry, powered by Google’s Gemini AI.

Getting Started

1. API Key: Click the icon in the top-right header to enter your Google Gemini API key. This is required for all tools to function. The key is saved securely in your browser’s local storage.
2. Navigation: Use the sidebar on the left to navigate between the different tools.
3. Saving Results: After running an analysis, a “Save to Logbook” button will appear. Click it to save the result for later viewing or comparison.

Modules

Analysis

• Symptom Predictor: Enter a substance and subject to predict toxicological symptoms. The results are editable and include a chart plotting symptom onsets against the estimated concentration-time profile.
• Mixture Analyst: Build a list of chemicals to understand their potential synergistic or antagonistic interactions, including metabolic pathways.
• Chemical Analyser: Provides a dual-function analysis. You can perform a general search on a substance, or a “Targeted Research Search” by providing a species and a specific research question. The tool queries public databases like UniProt and PubChem, and uses Google Search to find relevant literature, presenting an editable report of its findings.

Simulation & Design

• Toxicity Profiler: Generate a comprehensive, multi-tabbed toxicity report for a given compound, specifying the target organism and exposure route for a more focused analysis.
• Dose-Response: Simulate and visualise a dose-response curve for a chemical using precise controls for dose range, units, and data points.
• Antidote Profiler: Simulate the interaction between a primary substance and an anti-substance, visualizing molecular structures and comparing PBPK models before and after treatment.
• De Novo Designer: Propose novel chemical structures based on desired functional properties and undesired toxic characteristics to avoid. The result is a fully editable infographic.
• ADMET/PBPK Simulator: A two-step tool to first predict an ADMET (Absorption, Distribution, Metabolism, Excretion, Toxicity) profile, and then run a PBPK (Physiologically Based Pharmacokinetic) simulation based on that profile to model concentration over time in various organs.
• Molecule Designer: Describe desired properties, and the AI will suggest a novel structure. The app then calculates its drug-likeness profile (Lipinski’s Rule of Five) for immediate feedback.
• Synthesis Generator: Propose a synthetic pathway for a target molecule, with options to specify conditions like max temperature and preferred solvents.

Data Management

• Logbook: View, manage, and delete all your saved results. The logbook is now filtered by “Symptom Predictions” and “Analyses & Designs”. Saved results can be individually exported to JSON or PDF.
• Compare Logs: Select any two saved logs for a side-by-side comparison that visually highlights the differences in their text outputs or data.
• Global Import/Export: Use the and icons in the header to back up and restore your entire logbook (both predictions and analyses) as a single JSON file.
• Cloud Sync & Login: Use the “Cloud Login” page to connect your Firebase account. Once logged in, you can sync your entire logbook to the cloud, allowing you to access it from different devices.