A machine-learning approach called CheMeleon provides a practical way to develop new drugs or other molecules with much less detailed, expensive experimentation.
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
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
Policy drift takes shape through a nonlinear differential equation - framed within the policy state space - with support from Lyapunov stability concepts alongside bifurcation methods alongside bifurcation methods, and the Intent Drift Rate appears: a concrete number per dialogue turn built as the time-based change in...
Harsh Verma· International Journal of Sci...· 1 citation
The Comprehensive VS Platform with AI Engine (CVSP-AIE) for drug discovery from compound libraries integrates three AI models: KarmaDock, a fast docking model that directly updates atomic coordinates; CarsiDock, an accurate docking model that predicts protein-ligand distances and reconstructs binding poses; and RTMScor...