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7 results in Authors: Floriane Montanari

Theoretical and Computational Chemistry

Working Paper

Img2Mol - Accurate SMILES Recognition from Molecular Graphical Depictions

Djork-Arné Clevert, Tuan Le, Robin Winter, Floriane Montanari

Version 1 posted 29 March 2021

1,589

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Theoretical and Computational Chemistry

Working Paper

ChemInformatics Model Explorer (CIME): Exploratory analysis of chemical model explanations

Christina Humer, Henry Heberle, Floriane Montanari, Thomas Wolf, Florian Huber, Ryan Henderson, Julian Heinrich, Marc Streit

Version 1 posted 01 December 2021

513

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Citations

Theoretical and Computational Chemistry

Working Paper

Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representations

Robin Winter, Floriane Montanari, Frank Noé, Djork-Arné Clevert

Version 1 posted 30 July 2018

1,597

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Theoretical and Computational Chemistry

Working Paper

Efficient Multi-Objective Molecular Optimization in a Continuous Latent Space

Robin Winter, Floriane Montanari, Andreas Steffen, Hans Briem, Frank Noé, Djork-Arné Clevert

Version 1 posted 10 April 2019

1,256

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Biological and Medicinal Chemistry

Working Paper

Modeling Physico-Chemical ADMET Endpoints With Multitask Graph Convolutional Networks

Floriane Montanari, Lara Kuhnke, Antonius ter Laak, Djork-Arné Clevert

Version 1 posted 02 August 2019

848

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Theoretical and Computational Chemistry

Working Paper

Beyond Atoms and Bonds: Contextual Explainability via Molecular Graphical Depictions

Marco Bertolini, Linlin Zhao, Djork-Arné Clevert, Floriane Montanari

Version 1 posted 07 March 2022

827

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Theoretical and Computational Chemistry

Working Paper

Solvmate - A hybrid physical/ML approach to solvent recommendation leveraging a rank-based problem framework

Jan Wollschläger, Floriane Montanari

Version 1 posted 30 April 2024

271

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7 results in Floriane Montanari in Authors: Floriane Montanari

Img2Mol - Accurate SMILES Recognition from Molecular Graphical Depictions

ChemInformatics Model Explorer (CIME): Exploratory analysis of chemical model explanations

Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representations

Efficient Multi-Objective Molecular Optimization in a Continuous Latent Space

Modeling Physico-Chemical ADMET Endpoints With Multitask Graph Convolutional Networks

Beyond Atoms and Bonds: Contextual Explainability via Molecular Graphical Depictions

Solvmate - A hybrid physical/ML approach to solvent recommendation leveraging a rank-based problem framework

7 results in Authors: Floriane Montanari