Transformers in drug discovery: fine-tuning ChemBERTa for high-accuracy prediction of solubility, toxicity and binding affinity

Drug Discovery Today 2026

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Authors: Sandhya Alagarsamy, Chin-Shiuh Shieh, Mong-Fong Horng, Subhashini Vedagiri Radhakrishnan, Sethuraman Radhakrishnan, Abdelwahab Omri

DOI: 10.1016/j.drudis.2026.104602

Cited by: 6

References: 39

Fields of Study & Subjects

Computational Drug Discovery Methods Machine Learning in Materials Science Protein Structure and Dynamics

References 39