Maria-Anna Trapotsi

According to our database, Maria-Anna Trapotsi authored at least 4 papers between 2021 and 2025.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2025

PKSmart: an open-source computational model to predict intravenous pharmacokinetics of small molecules.

Srijit Seal, Maria-Anna Trapotsi, Manas Mahale, Vigneshwari Subramanian, Nigel Greene, Ola Spjuth, Andreas Bender

J. Cheminformatics, December, 2025

2023

Merging bioactivity predictions from cell morphology and chemical fingerprint models using similarity to training data.

Srijit Seal, Hongbin Yang, Maria-Anna Trapotsi, Satvik Singh, Jordi Carreras Puigvert, Ola Spjuth, Andreas Bender

J. Cheminformatics, December, 2023

2021

Comparison of Chemical Structure and Cell Morphology Information for Multitask Bioactivity Predictions.

Maria-Anna Trapotsi, Lewis H. Mervin, Avid M. Afzal, Noé Sturm, Ola Engkvist, Ian P. Barrett, Andreas Bender

J. Chem. Inf. Model., 2021

Probabilistic Random Forest improves bioactivity predictions close to the classification threshold by taking into account experimental uncertainty.

Lewis H. Mervin, Maria-Anna Trapotsi, Avid M. Afzal, Ian P. Barrett, Andreas Bender, Ola Engkvist

J. Cheminformatics, 2021