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Rebecca M. Neeser
Rebecca M. Neeser
Other namesRebecca Manuela Neeser, Rebecca Neeser
PhD student, EPFL
Verified email at epfl.ch
Title
Cited by
Cited by
Year
QMugs 1.1: quantum mechanical properties of organic compounds commonly encountered in reactivity datasets
RM Neeser, C Isert, T Stuyver, G Schneider, CW Coley
Chemical Data Collections, 101040, 2023
52023
Reinforcement Learning-Driven Linker Design via Fast Attention-based Point Cloud Alignment
RM Neeser, M Akdel, D Kovtun, L Naef
arXiv preprint arXiv:2306.08166, 2023
32023
Repurposing Quantum Chemical Descriptor Datasets for on-the-Fly Generation of Informative Reaction Representations: Application to Hydrogen Atom Transfer Reactions
JEA Ramos, RM Neeser, T Stuyver
Digital Discovery, 2024
2024
Repurposing Quantum Chemical Descriptor Datasets for on-the-Fly Generation of Informative Reaction Representations: Application to Hydrogen Atom Transfer Reactions
JEA Ramos, RM Neeser, T Stuyver
Digital Discovery, 2024
2024
FSscore: A Machine Learning-based Synthetic Feasibility Score Leveraging Human Expertise
RM Neeser, B Correia, P Schwaller
arXiv preprint arXiv:2312.12737, 2023
2023
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Articles 1–5