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Maria-Anna Trapotsi

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2020 – today

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2023
[j3]
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  - journals/jcheminf/SealYTSPSB23
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Srijit Seal, Hongbin Yang, Maria-Anna Trapotsi, Satvik Singh, Jordi Carreras Puigvert, Ola Spjuth, Andreas Bender:
Merging bioactivity predictions from cell morphology and chemical fingerprint models using similarity to training data. J. Cheminformatics 15(1): 56 (2023)
2021
[j2]
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Lewis H. Mervin, Maria-Anna Trapotsi, Avid M. Afzal, Ian P. Barrett, Andreas Bender, Ola Engkvist:
Probabilistic Random Forest improves bioactivity predictions close to the classification threshold by taking into account experimental uncertainty. J. Cheminformatics 13(1): 62 (2021)
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  - journals/jcisd/TrapotsiMASEBB21
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Maria-Anna Trapotsi, Lewis H. Mervin, Avid M. Afzal, Noé Sturm, Ola Engkvist, Ian P. Barrett, Andreas Bender:
Comparison of Chemical Structure and Cell Morphology Information for Multitask Bioactivity Predictions. J. Chem. Inf. Model. 61(3): 1444-1456 (2021)

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