This study advances the human-machine commerce literature by examining and explaining the rationality paradox, and extends traditional unidirectional PSI into bidirectional algorithmic synergy, demonstrating how distinct dimensions of AI literacy act as either propulsive accelerators or cognitive brakes in high-arousal...
Wan-Yun Ma, Ze-Feng Shao, Kifayat Nahiyan Rafi et al.· Asia Pacific Journal of Mark...· 0 citations
This system framework provides an efficient and interpretable solution for compliance verification, verifying the feasibility of lightweight AI in vertical fields and can also provide key data support for active and passive safety research such as the prevention of pedal misoperation in electric commercial vehicles.
This review provides a comprehensive overview of covalent docking algorithms, systematically categorizing their approaches according to covalent bond formation, which primarily include tethered docking, biased docking, and dynamic covalent docking approaches.
Shi Li, Hongyan Du, Hui Zhang et al.· WIREs Computational Molecula...· 2 citations
NavDB is a specialized and open-access database focusing on VGSC modulators and targets that integrates 8023 curated data records covering 5168 compounds, including small molecules, toxins, drugs, and peptides, along with comprehensive annotations on biological activity, druggability, and structural feature.
Gaoang Wang, Jiahui Yu, Haiyi Chen et al.· Journal of Chemical Informat...· 0 citations
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An explainable intelligence computational framework, Symbolic Trajectory-Embedded Dark Causal Interaction Inference (STE-DC2I), which combines symbolic trajectory embedding with historical prediction mechanisms to model nonmonotonic oscillatory dependencies between genes in CRC subtypes offers interpretable insights an...
Meng Huang, Huijin Hu, Ming Li et al.· Journal of Chemical Informat...· 0 citations
This Account describes a computational and AI-driven ecosystem for structure-based covalent drug discovery and dives into a suite of cutting-edge, AI-driven computational methods, exploring the potential of deep learning in tasks such as molecular docking, covalent binding site prediction, and lead optimization.
Shi Li, Hongyan Du, Xujun Zhang et al.· Accounts of Chemical Researc...· 4 citations
The results indicate that this fully automated, open-source system holds potential value for improving the efficiency and sustainability of molecular synthesis, and the integration of organic and enzymatic synthesis enhances molecule construction efficiency.
The authors develop mRNABERT, a foundational AI model that designs entire mRNA sequences and demonstrates superior performance across comprehensive benchmarks, which signifies a substantial leap forward in mRNA research and therapeutic development.
Ying Xiong, Aowen Wang, Yu Kang et al.· Nature Communications· 23 citations· ⚡1
OmniMol is presented, a framework using hypergraphs to improve predictions of molecular properties, addressing challenges of imperfect data annotation and enhancing model explainability, and achieves state-of-the-art performance in properties prediction.
Token-Mol is presented, a token-only 3D drug design model that encodes both 2D and 3D structural information, along with molecular properties, into discrete tokens, which introduces a Gaussian cross-entropy loss function tailored for regression tasks, enabling superior performance across multiple downstream application...
Ji-Ke Wang, Rui Qin, Mingyang Wang et al.· Nature Communications· 30 citations· ⚡1
HiCLR is the first foundation model that can be broadly applied to various synthesis-related tasks, and it achieves state-of-the-art performance in reaction classification, reaction condition recommendation, reaction yield prediction, synthesis planning, and even molecular property prediction.
Jialu Wu, Yiheng Zhu, Xiaorui Wang et al.· JACS Au· 0 citations
The AI-guided development of a first-in-class proteolysis-targeting chimera (PROTAC) designed to selectively degrade the CLIP1-LTK fusion protein is reported, providing a promising therapeutic strategy for overcoming acquired resistance in kinase-driven cancers.
Shi-Cheng Chen, Hai-Ting Duan, S. Zhong et al.· Proceedings of the National...· 0 citations
AI is moving beyond impressive demos. After World Summit AI 2026 in Amsterdam, GPT-Lab's Muhammad Waseem reflects on what organizations need to make AI agents reliable, responsible and genuinely useful in everyday work. The post Building trustworthy AI: The role of AI harnesses, intent contracts and evals appeared first on GPT-Lab.
Learn how Google DeepMind and GovTech Singapore uses lightweight on-device Gemma models to intercept conversational scams in private chats with zero cloud data egress.
MIT News · Artificial Intelligence· news.mit.eduOct 13, 2026
StudentSim is a research system for evaluating and improving AI tutoring tools before they are tested with learners. It models how individuals may engage with tutors, giving feedback to improve tutor performance across subjects like chess, writing, and mathematics. The post Simulating student learning for better AI tutoring appeared first on Microsoft Research.
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