ml-consulting / chemoinformatics Antonio de la Vega de León

AI/ML for
Drug Discovery

I help pharmaceutical and biotech teams design machine learning-based workflows to enhance decision making in drug discovery, leading to faster and more efficient discovery projects.

26+
peer-reviewed publications
10+
years of research experience
4+
years of indsutry experience
PhD
ML & chemoinformatics
services

Consulting

Design and implementation of ML workflows for drug discovery as well as teaching ML and chemoinformatics.

View services ›
writing

Blog

Technical posts on machine learning methods, cheminformatics experiments, and applied data science for drug discovery.

Read the blog ›
background

About

Learn more about my career and research interests.

About me ›
latest post
Fingerprint Comparison for Machine Learning Models 2025-10-09 · cheminformatics
Read post ›