SandboxAQ: Accelerating drug discovery through cloud integration

The traditional drug discovery process involves massive capital investments, prolonged timelines, and is plagued with daunting failure rates. From initial research to obtaining regulatory approval, bringing a new drug to market can take decades. During this time, many drug candidates that had seemed very promising fail to deliver, either due to inefficacy or safety concerns. Only a small fraction of candidates successfully make it through clinical trials and regulatory hurdles. 

Enter SandboxAQ, which is helping researchers explore vast chemical spaces, gain deep insights into molecular interactions, and predict biological outcomes with precision. It does so with cutting-edge computational approaches such as active learning, absolute free energy perturbation solution (AQFEP), generative AI, structural analysis, and predictive data analytics, ultimately reducing drug discovery and development timelines. And it does all this on a cloud-native foundation. 

Drug design involves an iterative cycle of designing, synthesizing, and testing molecules referred to as the Design-Make-Test ...