ER
Ella Miray Rajaonson
cs.LGcs.AIAntineoplastic Combined Chemotherapy Protocolsbiochemistrycomputational chemistryin silico experimentsmachine learningMachine LearningNeoplasmsOrganoids
On Valency
published · living versionsW_z5qwyvew·v1 · currentpublished
El Agente Fármaco: A Scalable AI Scientist for Drug Discovery
with Marcel Müller, Mohammad Ghazi Vakili, Yoshihiro Ogura, Ella Ashoori +11
1 version
Preprints & journals
9 papers in the corpus · 2024–2026On the Selectivity of Generative Models in Structure-Based Drug Design2610.24124v1 · Ella Miray Rajaonson, Jungyoon Lee, William Chau et al.2026 · 0 citationsarXiv
Machine learning-assisted exploration of multidrug-drug administration regimens for organoid arrays.40737392 · Yakavets, Ilya, Kheiri, Sina, Cruickshank, Jennifer et al.2025 · 30 citationsScience advances. 2025;11(31):eadt1851
Bayesian Optimization Hackathon for Chemistry and Materials10.26434/chemrxiv-2025-dzh5z · Sterling Baird, Mehrad Ansari, Zartashia Afzal et al.2025 · 1 citationChemRxiv
CheMixHub: Datasets and Benchmarks for Chemical Mixture Property Prediction2506.12231v2 · Ella Miray Rajaonson, Mahyar Rajabi Kochi, Luis Martin Mejia Mendoza et al.2025 · 1 citationarXiv
Bayesian Optimization for General Reaction Conditions2502.18966v2 · Stefan P. Schmid, Ella Miray Rajaonson, Cher Tian Ser et al.2025 · 4 citationsarXiv
From Molecules to Mixtures: Learning Representations of Olfactory Mixture Similarity using Inductive Biases2501.16271v1 · Gary Tom, Cher Tian Ser, Ella M. Rajaonson et al.2025 · 1 citationarXiv
Self-Driving Laboratories for Chemistry and Materials Science.39137296 · Tom, Gary, Schmid, Stefan P, Baird, Sterling G et al.2026 · 687 citationsChemical reviews. 2024;124(16):9633-9732
Boosting the Predictive Power of Protein Representations with a Corpus of Text Annotations10.1101/2024.07.22.604688v2 · Duan, H., Skreta, M., Cotta, L. et al.2024 · 11 citationsbioRxiv
In Silico Chemical Experiments in the Age of AI: From Quantum Chemistry to Machine Learning and Back.38794859 · Aldossary, Abdulrahman, Campos-Gonzalez-Angulo, Jorge Arturo, Pablo-García, Sergio et al.2024 · 80 citationsAdvanced materials (Deerfield Beach, Fla.). 2024;36(30):e2402369
Career total: 13 works. 9 are in this corpus.
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