Current strategies to address data scarcity in artificial intelligence-based drug discovery: A comprehensive review

A Gangwal, A Ansari, I Ahmad, AK Azad… - Computers in Biology …, 2024 - Elsevier
Artificial intelligence (AI) has played a vital role in computer-aided drug design (CADD). This
development has been further accelerated with the increasing use of machine learning (ML) …

Dual-Label Learning With Irregularly Present Labels

M Li, Q Han, Y Zhai, R Li, Y Yang, H Chen - arXiv preprint arXiv …, 2024 - arxiv.org
In multi-task learning, we often encounter the case when the presence of labels across
samples exhibits irregular patterns: samples can be fully labeled, partially labeled or …

LEMTL: Enhancing the pharmacokinetic predictions of multitask learning with existing pharmacokinetics

Y Li, X Deng, J Lv, H Chen… - 2024 IEEE International …, 2024 - ieeexplore.ieee.org
Evaluation of pharmacokinetic properties such as absorption, distribution, metabolism,
excretion, and toxicity is essential but costly and time-consuming in the research and …