An Open Drug Discovery Competition: Experimental Validation of Predictive Models in a Series of Novel Antimalarials.

The Open Source Malaria (OSM) consortium is developing compounds that kill the human malaria parasite, Plasmodium falciparum, by targeting PfATP4, an essential ion pump on the parasite surface. The structure of PfATP4 has not been determined. Here, we describe a public competition created to develop a predictive model for the identification of PfATP4 inhibitors, thereby reducing project costs associated with the synthesis of inactive compounds. Competition participants could see all entries as they were submitted. In the final round, featuring private sector entrants specializing in machine learning methods, the best-performing models were used to predict novel inhibitors, of which several were synthesized and evaluated against the parasite. Half possessed biological activity, with one featuring a motif that the human chemists familiar with this series would have dismissed as "ill-advised". Since all data and participant interactions remain in the public domain, this research project "lives" and may be improved by others

Development of biodegradable plastics by blending a by-product of the corn based ethanol industry and poly ([epsilon]-caprolactone)

Thesis (M.S.)--Michigan State University. School of Packaging, 2005Includes bibliographical references (pages 90-99

Drill Hole Optimization for Augmenting Structural Integrity

Structures develop cracks during the course of there life resulting in catastrophic failures. This can be reduced by drilling holes near the crack tip. Here the aspect of optimal position and size of the drill hole has been analysed. Additionally the effect of supplementary hole has also been made. Finite element code ANSYS was used for the analysis. To verify the fracture capabilities of ANSYS the results were corroborated using photoelastic techniques. It was observed that reduction in stress intensity factor to a great extent depends upon the position of the stop hole. Also it was observed that as the radius of the crack was increased the stress intensity factor increased. Creating supplementary hole further reduced the stress intensity factor. So it can be concluded that for employing the concept of drill hole its position and size should be accurately determined.</jats:p