Dealing with a data-limited regime: Combining transfer learning and transformer attention mechanism to increase aqueous solubility prediction performance
Author:
Funder
Narodowa Agencja Wymiany Akademickiej
Narodowe Centrum Nauki
Publisher
Elsevier BV
Reference50 articles.
1. From machine learning to deep learning: progress in machine intelligence for rational drug discovery;Zhang;Drug Discov Today,2017
2. Molecular obesity, potency and other addictions in drug discovery;Hann;Medchemcomm,2011
3. Can human experts predict solubility better than computers?;Boobier;J Cheminform,2017
4. Recent advances on aqueous solubility prediction;Wang;Comb Chem High Throughput Screening,2011
5. Is experimental data quality the limiting factor in predicting the aqueous solubility of druglike molecules?;Palmer;Mol Pharm,2014
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