The slow and expensive process of bringing a novel, small molecule drug to patients begins at the earliest stages of discovery, where computational and medicinal chemists will spend months screening compounds, optimizing candidate molecules, and validating them to choose promising ones to advance through preclinical testing based on multidimensional parameters.
In November of 2021, Simulations Plus unveiled its Artificial Intelligence-driven Drug Discovery (AIDD) module to dramatically cut costs and reduce the time to identify candidate drugs. AIDD leverages two of the company’s core software products—its top-ranked, fully validated ADMET Predictor®, which takes molecular structures as inputs and uses machine learning technology to predict different properties for those molecules, in combination with its widely-used and flagship GastroPlus® software, which simulates the behavior of compounds in virtual animal and human models to predict absorption and systemic exposure.
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