admet-predictor

What problem does it solve?

The ADMET predictor prevents promising compounds from failing late by estimating absorption, distribution, metabolism, excretion, and toxicity risks from structure-derived physicochemical properties.

Core Features & Use Cases

• ADMET-focused go/no-go verdicts: Produces A/B/C/D/F classifications to advance or reject candidates based on rule-of-thumb thresholds and structural alert logic.
• Absorption and delivery feasibility checks: Assesses oral-like versus topical/mucosal feasibility with OM-specific considerations (PSA/LogP, mucoadhesion, and inflamed-tissue context).
• Cancer-patient DDI risk framing: Flags plausible CYP interaction liabilities using the project’s mechanism/target CSVs and typical chemo regimens as context.
• Plant compound fairness: Avoids blindly rejecting natural products with poor oral Ro5 metrics by emphasizing delivery-route alternatives for OM.

Quick Start

Use the admet-predictor skill to evaluate a candidate compound’s ADMET profile and receive a ranked verdict plus recommended delivery de-risking actions.