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Stephan A. Sieber
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2020 – today
- 2024
- [j5]Davide Boldini, Davide Ballabio
, Viviana Consonni, Roberto Todeschini, Francesca Grisoni
Effectiveness of molecular fingerprints for exploring the chemical space of natural products. J. Cheminformatics 16(1): 35 (2024) - [j4]Maximilian G. Schuh
Synergizing Chemical Structures and Bioassay Descriptions for Enhanced Molecular Property Prediction in Drug Discovery. J. Chem. Inf. Model. 64(12): 4640-4650 (2024) - [j3]Joshua Hesse
Machine Learning-Driven Data Valuation for Optimizing High-Throughput Screening Pipelines. J. Chem. Inf. Model. 64(21): 8142-8152 (2024) - [i2]Maximilian G. Schuh, Davide Boldini, Stephan A. Sieber:
TwinBooster: Synergising Large Language Models with Barlow Twins and Gradient Boosting for Enhanced Molecular Property Prediction. CoRR abs/2401.04478 (2024) - [i1]Maximilian G. Schuh, Davide Boldini, Stephan A. Sieber:
Barlow Twins Deep Neural Network for Advanced 1D Drug-Target Interaction Prediction. CoRR abs/2408.00040 (2024) - 2023
- [j2]Davide Boldini, Francesca Grisoni, Daniel Kuhn, Lukas Friedrich, Stephan A. Sieber:
Practical guidelines for the use of gradient boosting for molecular property prediction. J. Cheminformatics 15(1): 73 (2023) - 2022
- [j1]Davide Boldini, Lukas Friedrich, Daniel Kuhn, Stephan A. Sieber:
Tuning gradient boosting for imbalanced bioassay modelling with custom loss functions. J. Cheminformatics 14(1): 80 (2022)
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