Michael E. Fortunato
Orcid: 0000-0003-1344-5642
According to our database1,
Michael E. Fortunato
authored at least 8 papers
between 2017 and 2025.
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Book In proceedings Article PhD thesis Dataset OtherLinks
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Bibliography
2025
2024
Reactivities of acrylamide warheads toward cysteine targets: a QM/ML approach to covalent inhibitor design.
J. Comput. Aided Mol. Des., December, 2024
Chimera: Accurate retrosynthesis prediction by ensembling models with diverse inductive biases.
CoRR, 2024
2022
Predicting In Vivo Compound Brain Penetration Using Multi-task Graph Neural Networks.
J. Chem. Inf. Model., 2022
2021
Update 1.1 to "pysimm: A python package for simulation of molecular systems", (PII: S2352711016300395).
SoftwareX, 2021
2020
Data Augmentation and Pretraining for Template-Based Retrosynthetic Prediction in Computer-Aided Synthesis Planning.
J. Chem. Inf. Model., 2020
2018
SoftwareX, 2018
2017