Mike Fortunato

Mike Fortunato

Novartis Institutes for BioMedical Research - Bhubaneswar / United States
Engineering & Technology / Computer Science
AD Scientific Index ID: 4543256
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person_outline Mike Fortunato's MOST POPULAR ARTICLES
1-) Data augmentation and pretraining for template-based retrosynthetic prediction in computer-aided synthesis planningME Fortunato, CW Coley, BC Barnes, KF JensenJournal of chemical information and modeling 60 (7), 3398-3407, 2020642020
2-) pysimm: A python package for simulation of molecular systemsME Fortunato, CM ColinaSoftwareX 6, 7-12, 2017692017
3-) Evaluating and clustering retrosynthesis pathways with learned strategyY Mo, Y Guan, P Verma, J Guo, ME Fortunato, Z Lu, CW Coley, KF JensenChemical science 12 (4), 1469-1478, 2021682021
4-) Uncertainties in the predictions of thermo-physical properties of thermoplastic polymers via molecular dynamicsL Alzate-Vargas, ME Fortunato, B Haley, C Li, CM Colina, A StrachanModelling and Simulation in Materials Science and Engineering 26 (6), 065007, 2018342018
5-) Predicting in vivo compound brain penetration using multi-task graph neural networksS Hamzic, R Lewis, S Desrayaud, C Soylu, M Fortunato, G Gerebtzoff, ...Journal of chemical information and modeling 62 (13), 3180-3190, 2022172022