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Biological and Medicinal Chemistry

Working Paper

Generating Customized Compound Libraries for Drug Discovery with Machine Intelligence

Michael Moret, Lukas Friedrich, Francesca Grisoni, Daniel Merk, Gisbert Schneider

Version 1 posted 07 November 2019

1,286

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3

Citations

Theoretical and Computational Chemistry

Working Paper

Beam Search Sampling for Molecular Design and Intrinsic Prioritization with Machine Intelligence

Michael Moret, Moritz Helmstädter, Francesca Grisoni, Gisbert Schneider, Daniel Merk

Version 1 posted 04 March 2021

767

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1

Citations

Biological and Medicinal Chemistry

Working Paper

Combining Generative Artificial Intelligence and On-Chip Synthesis for De Novo Drug Design

Francesca Grisoni, Berend Huisman, Alexander Button, Michael Moret, Kenneth Atz, Daniel Merk, Gisbert Schneider

Version 1 posted 30 December 2020

741

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1

Citations

Catalysis

Working Paper

Integrating Genetic Algorithms and Language Models for Enhanced Enzyme Design

Yves Gaetan Nana Teukam, Federico Zipoli, Teodoro Laino, Emanuele Criscuolo, Francesca Grisoni, Matteo Manica

Version 1 posted 13 March 2024

905

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Nanoscience

Working Paper

Machine learning-guided high throughput nanoparticle design

Ana Ortiz-Perez, Derek van Tilborg, Roy van der Meel, Francesca Grisoni, Lorenzo Albertazzi

Version 1 posted 29 August 2023

679

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2

Citations

Theoretical and Computational Chemistry

Review

Deep learning for low-data drug discovery: hurdles and opportunities

Derek van Tilborg, Helena Brinkmann, Emanuele Criscuolo, Luke Rossen, Rıza Özçelik, Francesca Grisoni

Version 1 posted 25 January 2024

1,333

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3

Citations

Theoretical and Computational Chemistry

Working Paper

Exposing the limitations of molecular machine learning with activity cliffs.

Derek van Tilborg, Alisa Alenicheva, Francesca Grisoni

Version 3 posted 30 August 2022

2,585

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1

Citations

Biological and Medicinal Chemistry

Working Paper

Leveraging molecular structure and bioactivity with chemical language models for drug design

Michael Moret, Francesca Grisoni, Cyrill Brunner, Gisbert Schneider

Version 1 posted 04 October 2021

1,226

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Theoretical and Computational Chemistry

Working Paper

Chemical Language Modeling with Structured State Spaces

Rıza Özçelik, Sarah de Ruiter, Emanuele Criscuolo, Francesca Grisoni

Version 2 posted 25 January 2024

2,150

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Theoretical and Computational Chemistry

Working Paper

Deep Supramolecular Language Processing for Co-crystal Prediction

Rebecca Birolo, Rıza Özçelik, Andrea Aramini, Roberto Gobetto, Michele Remo Chierotti, Francesca Grisoni

Version 3 posted 27 November 2024

701

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Refine Search

21 results in Francesca Grisoni in Authors: Francesca Grisoni

Generating Customized Compound Libraries for Drug Discovery with Machine Intelligence

Beam Search Sampling for Molecular Design and Intrinsic Prioritization with Machine Intelligence

Combining Generative Artificial Intelligence and On-Chip Synthesis for De Novo Drug Design

Integrating Genetic Algorithms and Language Models for Enhanced Enzyme Design

Machine learning-guided high throughput nanoparticle design

Deep learning for low-data drug discovery: hurdles and opportunities

Exposing the limitations of molecular machine learning with activity cliffs.

Leveraging molecular structure and bioactivity with chemical language models for drug design

Chemical Language Modeling with Structured State Spaces

Deep Supramolecular Language Processing for Co-crystal Prediction

21 results in Authors: Francesca Grisoni