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<!DOCTYPE html>
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<title>About — Antonio de la Vega de León</title>
<meta name="description" content="Cheminformatician and ML/AI expert. 4+ years industry experience and 10+ years experience in chemoinformatics.">
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<span class="mono-tag">background</span>
<h1>About</h1>
</div>
<!-- Bio -->
<div class="about-section">
<h2 class="mono-tag">bio</h2>
<img src="images/about/portrait_small.jpg" alt="Antonio de la Vega de León" class="portrait">
<p>
I'm Antonio de la Vega de León, a chemoinformatician and ML/AI expert focused on the development
and implementation of novel machine learning strategies to guide the discovery of novel drugs.
My expertise lies in the implementation, interpretation, and characterisation of machine learning
models to predict biological endpoints of interest.
I worked 4 years at Bristol Myers Squibb focused on their targeted protein degrader platform,
prioritizing novel molecular glue for large scale unbiased proteomics screening.
</p>
<p>
Previously, I worked as a lecturer in chemoinformatics at the University of Sheffield.
I was a postdoctoral reseacher in a
Marie Curie project against Alzheimer's disease (D3i4AD).
I originally studied Biology in Madrid, then moved to Bonn to complete the MSc Life Science
Informatics. There, I was introduced to chemoinformatics by Prof. Jürgen Bajorath —
with whom I went on to complete my PhD on the application of matched molecular pairs and high
dimensional visualizations to study complex structure-activity relationships in drug discovery datasets.
</p>
<p style="margin-top:1.25rem;">Reach out on LinkedIn or book a free 30-minute intro call.</p>
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<!-- Research -->
<div class="about-section">
<h2 class="mono-tag">research</h2>
<p>
My research interests centre on the use of machine learning and visualisation in pharmaceutical
research to aid decision making. I am particularly interested in:
</p>
<ul>
<li>
<strong>Machine learning model interpretation</strong> — making the associations learned by
ML models understandable, so that structural insights can inform compound design.
</li>
<li>
<strong>Visualisation of chemical space</strong> — developing novel visualisations that bridge
the structural information of sets of molecules to their physico-chemical and biochemical properties.
</li>
</ul>
<p style="margin-top:1.25rem;">
Previous research includes deep neural networks for the D3i4AD Alzheimer's project, matched
molecular pair analysis on PubChem and ChEMBL, multi-task machine learning with missing data,
visualization of multi-property landscapes, molecular docking of macrocycles, and the first
partial assembly of the <em>Rhodococcus ruber</em> Chol-4 genome.
</p>
<p style="margin-top:1rem;"><a href="research.html">Full research history →</a></p>
</div>
<!-- Outreach -->
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<h2 class="mono-tag">outreach</h2>
<p>
As a scientist, I believe it is important to bring research out of the lab and share our passion
for science with the general public. I was the secretary of the Society
of Spanish Researchers in the United Kingdom
(<a href="https://www.sruk.org.uk">SRUK</a>), and was interim Chair of Sheffield Science Outreach
(formerly the Sheffield branch of the British Science Association, BSA).
</p>
<p>Science communication writing:</p>
<ul>
<li>Quantum computing: the future of computers (<a href="https://sruk.org.uk/quantum-computing-the-future-of-the-computers/">SRUK blog</a>, co-authored with Miguel Figueres, Laura Martinez and Margarita Segovia)</li>
<li>The drug discovery process (<a href="https://sruk.org.uk/the-drug-discovery-process/">SRUK blog</a>)</li>
<li>Artificial intelligence: hype or revolution (<a href="https://sruk.org.uk/artificial-intelligence-hype-or-revolution/">SRUK blog</a>)</li>
</ul>
<p style="margin-top:1.25rem;">
Events organised include: Science for Everyone workshop (Crucible Theatre, Sheffield),
Fun Palaces 2018 (Theatre Deli, Sheffield), Open Day for the D3i4AD project (University of Bari),
Science of Multilingualism (Weston Park Museum), Nature Detectives, CineScience Sheffield, and
Science of Wellness.
</p>
<p style="margin-top:1rem;"><a href="outreach.html">Full outreach history →</a></p>
</div>
<!-- Teaching -->
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<h2 class="mono-tag">teaching</h2>
<p>
</p>
<p><strong>Universidad Tecnológica Atlántico Mediterráneo</strong></p>
<p>
I designed and created teaching material for their introductory course on
AI and automation for students coming from life science background.
</p>
<p><strong>University of Sheffield</strong></p>
<p>
As lecturer I designed and taught a new module on data visualization for the MSc Data Science.
I also taught data analysis, designing usable webpages, database design, and data mining and visualisation
postgraduate modules. Assisted Prof. Val Gillet on the cheminformatics module (first year
chemistry undergraduates).
</p>
<p><strong>University of Bonn</strong></p>
<p>
Teaching assistant during PhD: cheminformatics practical (Java, masters level), Programming lab 2
(Python), molecular modelling and drug design. Gave lectures for the chemistry bridging course,
Bioinformatics 2, and Cheminformatics. Assisted Junior-Prof. Alexander Markowetz in
"Foundations of information management" (relational databases).
</p>
</div>
<!-- CV -->
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<h2 class="mono-tag">cv</h2>
<p>Download my full curriculum vitae.</p>
<div style="margin-top:1rem;">
<a href="cv.pdf" class="btn-cv" target="_blank" rel="noopener">Download CV (PDF)</a>
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<li><a href="https://www.researchgate.net/profile/Antonio_De_La_Vega_De_Leon" target="_blank" rel="noopener">ResearchGate</a></li>
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