100 AI-generated molecules are worth a 1,000,000 molecule high-throughput screen
Generative AI in drug discovery is showing promise by optimizing molecule searches beyond traditional methods. Variational AI’s Enki algorithm created 100 AI-generated molecules that outperform 1,000,000 in conventional high-throughput screening, highlighting AI’s efficiency in exploring chemical space.
Applicability domains are common in QSAR but irrelevant for conventional ML tasks
Traditional QSAR models are limited to interpolation within known chemical spaces, restricting drug discovery. In contrast, modern machine learning excels at extrapolation, opening new possibilities for exploring untapped chemical compounds and enhancing hit discovery.
Variational AI announces generative AI project with Merck
Variational AI, developer of the Enki™ generative artificial intelligence (AI) platform for drug discovery, today announced a project with Merck Research Labs supported by the CQDM Quantum Leap program.
Variational AI Files Two US Provisional Patents for Potential COVID-19 Drug Created by Generative AI
Variational AI, developer of the Enki™ generative artificial intelligence (AI) drug discovery platform to redefine the economics of drug development, today announced that the company has filed two provisional patents with the United States Patent and Trademark Office
Variational AI Adds Jennifer Hamilton as Advisor
Variational AI, developer of generative AI-based drug discovery platform for novel kinase inhibitors, today announced that it has added industry and scientific leader Jennifer Hamilton, Ph.D. as a company advisor.
