2 research outputs found

    Crossroads Rhode Island: Proposed Social Enterprise Business Plan

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    Crossroads Rhode Island provides their clients with a continuum of care that includes basic emergency needs, shelter, housing, case management and vocational services for individuals and families. In order to provide these services they rely on the generosity of their donors and supporters who have helped Crossroads to become the largest homeless services organization in Rhode Island. It is important to Crossroads that they stick to their core values of safety, respect, and effectiveness when helping the homeless or at-risk individuals and families secure stable homes

    AI is a viable alternative to high throughput screening: a 318-target study

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    : High throughput screening (HTS) is routinely used to identify bioactive small molecules. This requires physical compounds, which limits coverage of accessible chemical space. Computational approaches combined with vast on-demand chemical libraries can access far greater chemical space, provided that the predictive accuracy is sufficient to identify useful molecules. Through the largest and most diverse virtual HTS campaign reported to date, comprising 318 individual projects, we demonstrate that our AtomNet® convolutional neural network successfully finds novel hits across every major therapeutic area and protein class. We address historical limitations of computational screening by demonstrating success for target proteins without known binders, high-quality X-ray crystal structures, or manual cherry-picking of compounds. We show that the molecules selected by the AtomNet® model are novel drug-like scaffolds rather than minor modifications to known bioactive compounds. Our empirical results suggest that computational methods can substantially replace HTS as the first step of small-molecule drug discovery
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