It is argued that AI software is still software and needs to be approached from the software development perspective, and whether the focus should be on AI ethics or the quality of an AI system, called a maturity model for the development of AI systems is discussed.
Ville Vakkuri, Marianna Jantunen, Erika Halme et al.· SafeAI@AAAI· 17 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
Securing AI systems is not a task any single discipline can accomplish alone; it requires sustained collaboration between machine learning researchers, cybersecurity professionals, and policymakers if AI technologies are to remain reliable, trustworthy, and resilient in adversarial environments.
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...