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

: 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

Effect of eccentric loading, protective shells, slenderness ratios, and other variables in reinforced concrete columns

Cover title.Prepared as part of an investigation conducted by the Engineering Experiment Station, University of Illinois at Urbana-Champaign

An investigation of rigid frame bridges : Part III, Tests of structural hinges of reinforced concrete

pt. 1. Tests of reinforced concrete knee frames and bakelite models / by F.E. Richart, T.J. Dolan, and T.A. Olson -- pt. 2. Laboratory tests of reinforced concrete rigid frame bridges / by W.M. Wilson, R.W. Kluge, and J.V. Coombe -- pt. 3. Tests of structural hinges of reinforced concrete / by R.W. Kluge

An investigation of rigid frame bridges : Part II, Laboratory tests of reinforced concrete rigid frame bridges

pt. 1. Tests of reinforced concrete knee frames and bakelite models / by F.E. Richart, T.J. Dolan, and T.A. Olson -- pt. 2. Laboratory tests of reinforced concrete rigid frame bridges / by W.M. Wilson, R.W. Kluge, and J.V. Coombe -- pt. 3. Tests of structural hinges of reinforced concrete / by R.W. Kluge