A computational coffee science practice built on molecular analysis

What we do

Coffee Science Lab produces written scientific reports on coffee compounds, bioactives, roasting chemistry, authenticity, and mechanistic questions.

Our reports are powered by AIXC Bio’s computational biology engine: molecular docking, network pharmacology, ADMET profiling, and quantum chemistry methods adapted to coffee-specific scientific questions.

We specialize in computational analysis and rigorous scientific interpretation applied to coffee — not general consulting across the coffee trade.

Coffee Science Lab is part of the AIXC Bio team — an AI-powered drug discovery platform whose research has been presented alongside Google DeepMind, Harvard Medical School, and Stanford, with 22+ peer-reviewed papers accepted at AAAI, ICLR, NeurIPS, and other top venues.

Enrique Zueco

Enrique Zueco

Founder · Coffee Science Lab
Computational Researcher, AIXC Bio

Our Method

Computational Analysis

Molecular docking, network pharmacology, and quantum chemistry applied to coffee compounds and their interactions with biological and physical systems.

Literature Synthesis

Systematic review of peer-reviewed research, translated into evidence-based written reports.

Coffee-Specific Scope

Every deliverable stays inside our actual expertise: molecules, mechanisms, chemistry, roasting, and bioactive interpretation in coffee.

Written Deliverables

The output is a report or dossier. The model is analysis-first, not workshop-first and not open-ended phone consulting.

Research Timeline

2024

Founded Coffee Science Lab and AIxCBio research practice

2024

First diterpene molecular docking study published

2025

Network pharmacology analysis of coffee bioactives published

2025

Maillard reaction quantum chemistry modeling published

2026

ADMET profiling of coffee compounds published

2026

Research monograph: The Science Inside Your Cup

Work with Coffee Science Lab

If you need a written scientific report on a coffee chemistry or bioactive question, send us the problem and we’ll assess fit.

Request a Report