Online triplet contrastive learning enables efficient cliff awareness in molecular activity prediction.
Published in Under Review, 2023
Activity cliff awareness loss
Wan Xiang Shen*, Chao Cui*, Xiang Cheng Shi et al. Online triplet contrastive learning enables efficient cliff awareness in molecular activity prediction, 28 June 2023, PREPRINT (Version 1) available at Research Square. https://doi.org/10.21203/rs.3.rs-2988283/v15