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
Institutions are beginning to use multiple large language models, AI agents, automated reviewers, and human overseers as if agreement among them were independent corroboration. That assumption can fail. This paper develops the Synthetic Consensus Cascade (SCC) framework, a multidisciplinary mathematical model linking c...
Kwan Hong TAN· Zenodo (CERN European Organi...· 1 citation
Institutions are beginning to use multiple large language models, AI agents, automated reviewers, and human overseers as if agreement among them were independent corroboration. That assumption can fail. This paper develops the Synthetic Consensus Cascade (SCC) framework, a multidisciplinary mathematical model linking c...
Kwan Hong TAN· Zenodo (CERN European Organi...· 0 citations
The goal is to not only refine the accuracy of the LLM-based tool but also to underscore its potential in streamlining the software development lifecycle through proactive code improvement and education.
Z. Rasheed, Malik Abdul Sami, Muhammad Waseem et al.· arXiv.org· 62 citations· ⚡3
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