RNA subcellular localization determines the regulatory context in which microRNAs (miRNAs), circular RNAs (circRNAs), and long noncoding RNAs (lncRNAs) exert their functions, yet these RNA classes differ greatly in sequence length and circularity, making fixed-length raw-sequence representations inconvenient for cros...
Bo-Wen Shi, Xu-Xin He, Yen-Peng Chiu et al.· Journal of Chemical Informat...· 0 citations
Overall, scLDM provides a robust and biologically consistent strategy for in silico perturbation screening, and exhibits strong interpretability, as the learned perturbation embeddings show high functional alignment with known biological mechanisms.
LARK is introduced, a unified framework for learning atom–molecule–reaction knowledge from chemical transformations that learns chemically informative representations of substructures involved in molecular transformations and establishes chemical transformations as a source of structured supervision for representation...
Jian-Bo Qiao, Yu-Hang Liu, Jun-Ru Jin et al.· bioRxiv· 0 citations
Results indicate that incorporating molecular cost information into heuristic search can improve the practicality and economic efficiency of retrosynthetic planning.
Shuan Liu, Jing-Wen Wang, Shao-Ye Zhang et al.· European journal of medicina...· 0 citations
Evaluations across three downstream tasks show that KAGT achieves strong performance relative to existing baselines in reaction classification, reaction condition prediction, and yield prediction, supporting KAGT as a transferable representation framework for AI-driven chemical synthesis.
Jian-Bo Qiao, Ke-Fei Li, Jun-Ru Jin et al.· Journal of Chemical Theory a...· 1 citation
DDI-MMAF is proposed, a lightweight cross-modal framework that avoids using explicit high-dimensional omics profiles as direct model inputs and enables accurate synergy prediction from raw minimalist inputs, offering a practical and efficient computational solution for cost-effective drug combination discovery.
Hao Li, Qianhui Jiang, Jiahui Guan et al.· European journal of medicina...· 0 citations
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