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Cited by
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Since 2019
Citations
8
8
h-index
2
2
i10-index
0
0
0
6
3
2023
2024
2
6
Public access
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2 articles
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Co-authors
Thijs Stuyver
Junior Professor, Chimie Paristech, PSL University
Verified email at chimieparistech.psl.eu
Clemens Isert
AI Scientist @ VantAI
Verified email at vant.ai
Gisbert Schneider
ETH Zurich
Verified email at ethz.ch
Connor W. Coley
Department of Chemical Engineering, MIT
Verified email at mit.edu
Mehmet Akdel
Senior AI Scientist, VantAI
Verified email at vant.ai
Luca Naef
Chief Technology Officer, VantAI
Verified email at vant.ai
Javier E. Alfonso-Ramos
PhD student, Chimie ParisTech, PSL Université
Verified email at chimieparistech.psl.eu
Bruno Correia
Ecole Polytechnique Federale de Lausanne
Verified email at epfl.ch
Philippe Schwaller
Assistant Professor, Laboratory of Artificial Chemical Intelligence - EPFL
Verified email at epfl.ch
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Rebecca M. Neeser
Other names
Rebecca Manuela Neeser, Rebecca Neeser
PhD student,
EPFL
Verified email at epfl.ch
computational drug design
generative models
computational chemistry
computational biology
Articles
Cited by
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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
5
2023
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
3
2023
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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