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3 papers
Chemical Language Models for Natural Products: A State-Space Model Approach
Ho-Hsuan Wang, Afnan Sultan, Andrea Volkamer +1
Language models are widely used in chemistry for molecular property prediction and small-molecule generation, yet Natural Products (NPs) remain underexplored despite their importan…
Transformers for molecular property prediction: Domain adaptation efficiently improves performance
Afnan Sultan, Max Rausch-Dupont, Shahrukh Khan +3
Over the past six years, molecular transformer models have become key tools in drug discovery. Most existing models are pre-trained on large, unlabeled datasets such as ZINC or ChE…
Transformers for molecular property prediction: Lessons learned from the past five years
Afnan Sultan, Jochen Sieg, Miriam Mathea +1
Molecular Property Prediction (MPP) is vital for drug discovery, crop protection, and environmental science. Over the last decades, diverse computational techniques have been devel…