Publications by authors named "Davide Boldini"

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Barlow Twins deep neural network for advanced 1D drug-target interaction prediction.
Maximilian G Schuh, Davide Boldini, Annkathrin I Bohne, Stephan A Sieber

J Cheminform· February 2025

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Machine Learning-Driven Data Valuation for Optimizing High-Throughput Screening Pipelines.
Joshua Hesse, Davide Boldini, Stephan A Sieber

J Chem Inf Model· November 2024

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Synergizing Chemical Structures and Bioassay Descriptions for Enhanced Molecular Property Prediction in Drug Discovery.
Maximilian G Schuh, Davide Boldini, Stephan A Sieber

J Chem Inf Model· June 2024

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Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery.
Davide Boldini, Lukas Friedrich, Daniel Kuhn, Stephan A Sieber

ACS Cent Sci· April 2024

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Effectiveness of molecular fingerprints for exploring the chemical space of natural products.
Davide Boldini, Davide Ballabio, Viviana Consonni, Roberto Todeschini, Francesca Grisoni

J Cheminform· March 2024

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Practical guidelines for the use of gradient boosting for molecular property prediction.
Davide Boldini, Francesca Grisoni, Daniel Kuhn, Lukas Friedrich, Stephan A Sieber

J Cheminform· August 2023

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Tuning gradient boosting for imbalanced bioassay modelling with custom loss functions.
Davide Boldini, Lukas Friedrich, Daniel Kuhn, Stephan A Sieber

J Cheminform· November 2022

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