Michael E. Fortunato

According to our database, Michael E. Fortunato authored at least 6 papers between 2017 and 2024.

Collaborative distances:

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

2024

Reactivities of acrylamide warheads toward cysteine targets: a QM/ML approach to covalent inhibitor design.

Aaron D. Danilack, Callum J. Dickson, Cihan Soylu, Mike Fortunato, Stephane Rodde, Hagen Munkler, Viktor Hornak, José S. Duca

J. Comput. Aided Mol. Des., December, 2024

2022

Predicting In Vivo Compound Brain Penetration Using Multi-task Graph Neural Networks.

Seid Hamzic, Richard A. Lewis, Sandrine Desrayaud, Cihan Soylu, Mike Fortunato, Grégori Gerebtzoff, Raquel Rodríguez-Pérez

J. Chem. Inf. Model., 2022

2021

Update 1.1 to "pysimm: A python package for simulation of molecular systems", (PII: S2352711016300395).

Alexander G. Demidov, B. Lakshitha A. Perera, Michael E. Fortunato, Sibo Lin, Coray M. Colina

SoftwareX, 2021

2020

Data Augmentation and Pretraining for Template-Based Retrosynthetic Prediction in Computer-Aided Synthesis Planning.

Michael E. Fortunato, Connor W. Coley, Brian C. Barnes, Klavs F. Jensen

J. Chem. Inf. Model., 2020

2018

Update 0.2 to "pysimm: A python package for simulation of molecular systems".

Alexander G. Demidov, Michael E. Fortunato, Coray M. Colina

SoftwareX, 2018

2017

pysimm: A python package for simulation of molecular systems.

Michael E. Fortunato, Coray M. Colina

SoftwareX, 2017