From a childhood curiosity about biology and technical drawing to a passion for computational toxicology, Rita Ortega has forged her path as a researcher developing human-relevant models for liver toxicity. Recently completing her PhD at the Polytechnic University of Valencia and developing DockTox — an automated tool for predicting organ toxicity — she integrates in silico and in vitro approaches to advance safer, animal-free chemical assessment. Within ONTOX and ASPIS, she supports Early Career Researchers, fosters collaboration, and contributes to the shift toward New Approach Methodologies. In this interview, Rita reflects on her achievements, challenges and inspirations of being a young researcher today.
What inspired you to pursue a career in science?
I’ve always been a curious person. As a kid, I gravitated towards science because of my father’s love for technical drawing and my mom’s stories about surgeries and anatomy from the hospital where she worked. Later, shows like CSI fueled my fascination with lab work and problem-solving. That curiosity led me to study Biotechnology. During my master’s, I discovered computational work and started programming in R — and it just clicked. Coding felt like learning a new language, something I’ve always enjoyed. It gave me a way to “talk” to the computer to analyse data, automate pipelines, and create cool visualisations. It allowed me to combine two passions: understanding biology and building practical tools.
What motivated your decision to undertake your PhD at the Polytechnic University of Valencia?
I’m from Valencia, so being able to conduct my day-to-day research at ProtoQSAR — a computational chemistry company in my city where I genuinely enjoy working — while being enrolled in the Chemistry PhD programme at the Polytechnic University of Valencia (UPV) was the perfect setup. I chose UPV because it’s where I completed my degree, and I trust the rigour and organisation of the programme. My thesis has been a collaboration between ProtoQSAR and the La Fe Health Research Institute (IIS La Fe). My supervisors are based in those two institutions, and at UPV, I have a tutor who connects me with the university and helps with the administrative side.
How would you summarise your main scientific expertise and research focus?
My research focuses on human-relevant, mechanism-informed models for liver toxicity. I combine QSAR/SAR with structure-based approaches, mostly docking, and I’ve also worked with metabolomics data. During a three-month stay at the University of Gothenburg, I deepened my structure-based skills, which I’ve applied to develop DockTox, an automated docking tool tailored for toxicology. DockTox provides explainable predictions of protein binding relevant to adverse outcomes studied in ONTOX.
What motivated you to become involved in the ONTOX project?
ONTOX aligns perfectly with how I believe toxicology should progress: mechanistic, human-relevant, and transparent. The project provided a natural home for my thesis on Drug-Induced Liver Injury (DILI), particularly steatosis, and an opportunity to collaborate with groups developing Adverse Outcome Pathways (AOPs). I was also drawn by the chance to help standardise structure-based methods for toxicology, integrate in silico results with in vitro evidence, and contribute to approaches that can genuinely reduce animal testing while improving confidence in decision-making.
What are your main tasks and responsibilities within ONTOX?
Within ONTOX, my primary role has been developing DockTox and contributing to the chemical domain work package. I collaborate closely with the toxicokinetic, AI, and in vitro groups to integrate in silico outputs into the experimental pipelines. This includes standardising in silico workflows, benchmarking our structure-based methodology beyond binding energy using interaction profiles, aligning the work with the AOP framework that ONTOX is leveraging, and documenting/demonstrating the pipelines so they can be easily reused across the consortium.
“ONTOX has immersed me in a truly multidisciplinary environment. Events like the EPAA Designathon and the ONTOX Hackathon challenged me to work in fast-paced teams and turn ideas into concrete, testable plans. On a personal level, the most meaningful part has been the community. I’ve met a fantastic group of Early Career Researchers within ONTOX and the broader ASPIS cluster whose science and collaborative spirit I truly admire.”
As ONTOX moves toward its final stages in 2026, what have you found most valuable in this experience — scientifically or personally?
Scientifically, ONTOX has immersed me in a truly multidisciplinary environment. I’ve learnt a great deal about New Approach Methodologies (NAMs) and AOPs, taken part in project meetings, and exchanged ideas with scientists across different fields. Events like the EPAA Designathon and the ONTOX Hackathon were especially impactful — they challenged me to work in fast-paced teams and turn ideas into concrete, testable plans. I also gained practical experience in project justification, communication, and data management, all of which will be invaluable for future work.
On a personal level, the most meaningful part has been the community. I’ve met a fantastic group of Early Career Researchers within ONTOX and the broader ASPIS cluster whose science and collaborative spirit I truly admire. Building those connections and friendships has been one of the highlights of my time in the project.
You play an active role in the ASPIS Academy, the network of Early-Stage Researchers (ESRs) within the ASPIS cluster. How did you become part of its Core Team, and what do you value most about being involved?
I became involved in the ASPIS Academy right after the ONTOX Hackathon in April 2024, and a few months later, I joined the core group. Since then, I’ve helped plan training and networking activities for ESRs and, with input from my colleagues, prepared the Twinning Programme Manual — a practical guide to arranging research stays, from identifying host labs and funding to contacting Principal Investigators and organising the visit.
What I value most about the ASPIS Academy is the mix of networking and problem-solving: listening to what Early Career Researchers need and turning that into concrete resources and opportunities.
Are you involved in other initiatives aiming to reduce or replace animal testing? If so, could you tell us more about them?
My PhD itself was centred on developing computational models within the AOP framework to predict hepatotoxicity, with the goal of reducing animal use by providing mechanistic, human-relevant predictions.
I’m also part of HYPIEND, a Horizon Europe project on endocrine disruption across sensitive life stages. HYPIEND uses a tiered strategy that combines in silico, in vitro and in vivo models. Within the project, my colleagues at ProtoQSAR and I work on computational modelling for endocrine disruption and analyse human exposure data. Our contribution helps prioritise compounds and identify realistic mixtures, which supports the reduction and refinement of animal studies.
More broadly, my daily work is computational: building predictive models and standardising structure-based workflows so that in silico evidence can prioritise hypotheses, complement in vitro testing, and ultimately reduce reliance on animal studies in both toxicology and early drug discovery.
What achievement in your career are you most proud of so far?
I just defended my PhD, and that’s the achievement I’m proudest of. A few years ago, I wouldn’t have imagined pursuing a doctorate, and getting here has required persistence, collaboration, and a steep learning curve. I’m also proud that DockTox evolved from an idea into a functional tool that people can actually use. And on a smaller but personally meaningful note, I’ve built a strong data visualisation skill set that helps me communicate results more clearly.
As a highlight along the way, in March 2023, I received Huawei’s “El futuro de las TIC” award in Madrid, which recognises projects led by women in STEM. It was a fantastic experience and a meaningful reminder of why representation matters.
What do you find most challenging about being a young scientist today?
The research landscape is very competitive: more people have access to higher education, which is great, but highly skilled roles are in high demand and harder to secure. There’s also the expectation to stay constantly mobile across countries and rely on short-term contracts, making long-term planning difficult.
The upside is the community. Social media and open platforms have lowered barriers to collaboration, making it easier to connect with peers and experts, find mentors, and turn ideas into projects faster than ever before.
What are your future research or career plans?
In the near term, I’m excited to continue at ProtoQSAR as a senior researcher. I’m gradually coordinating the cheminformatics team, strengthening our data-cleaning and data-management workflows, and building new automated pipelines as part of our internal R&D. I’ll also remain involved in HYPIEND and stay active in ONTOX and ASPIS until the projects conclude. In parallel, I’m contributing to proposal writing for new calls, particularly around human toxicology using NAMs.
Looking further ahead, I plan to advance computational toxicology with a focus on explainable, mechanism-aware models and to reconnect with omics data analysis to integrate it into new human health projects. These ideas are still in early stages, but I aim to develop them into full projects within the Next Generation Risk Assessment (NGRA) and AOP frameworks.
Who or what inspires you most — in science or in life?
In science, I’m inspired by Sara García Alonso, a Spanish molecular biologist and ESA reserve astronaut. I admire how she clearly connects science to societal impact, and how she discusses teamwork and the astronaut selection process with humility and respect.
On a day-to-day basis, I’m also inspired by my colleagues. Their work ethic, quick thinking, and ability to turn ideas into projects push me to keep improving. Outside of science, I sometimes draw inspiration from artists who work hard under pressure and anxiety — a good reminder to keep going and stay creative.
Outside the lab, what are your favourite hobbies or activities?
Outside the lab, I’m a fallera — I love Valencian traditional dress and the whole Fallas culture, a spring festival in Valencia with music, parades, and huge artistic monuments. I also enjoy dancing, singing, reading, and embroidery as creative outlets. I’m a bit of a language nerd too: besides my native Spanish and Valencian and my working English, I’ve studied five more languages just for fun. Over the past year, I’ve added fitboxing to my routine, and I’m genuinely happy to have found an exercise I truly enjoy.
You must be logged in to post a comment.