Chemical Interactions & Weakest Link Analysis Feature - #63
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Introduces `analyze_interactions` under `cura_frame/interactions.py` and integrates a new interactive tab in the Streamlit UI. This module calculates safety margins, identifies physical and epistemic weakest links, assesses coupled risks (cardiotoxicity, DDI, solubility), and provides tailored chemical optimization suggestions. Adds full test coverage. Co-authored-by: google-labs-jules[bot] <161369871+google-labs-jules[bot]@users.noreply.github.com>
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Adds a new module
cura_frame/interactions.pyto evaluate Active Pharmaceutical Ingredient (API) safety margins, physical weakest links (safety bottlenecks), epistemic weakest links (provenance uncertainty), coupled/synergistic physicochemical risks (e.g., logP/hERG cardiotoxicity, logP/CYP3A4 DDI, CNS balance, and solubility), and generates detailed, scientific structure-modification suggestions to save early design time. The feature is fully integrated with the Streamlit app (apps/console_streamlit/app.py) under a dedicated tab, and comprehensively tested intests/test_interactions.pywith 100% success.PR created automatically by Jules for task 13786521262365408168 started by @dfeen87