A new joint Russian-French-Japanese team has developed a computational model able to predict the properties of new molecules based on the analysis of fundamental chemical laws. The study, titled "Using AI methods for the ...
Analytical Chemistry
Jan 20, 2020
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Biology encodes information in DNA and RNA, which are complex molecules finely tuned to their functions. But are they the only way to store hereditary molecular information? Some scientists believe life as we know it could ...
Biochemistry
Nov 11, 2019
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Big Data has become ubiquitous in recent years, and especially so in disciplines with heterogeneous and complex data patterns. This is particularly true for chemistry. In some ways, chemical compounds may be compared with ...
Analytical Chemistry
May 14, 2019
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A widely used screening tool deployed in the early phases of drug discovery to weed out undesirable compounds is wrong so often it can't be trusted on its own, according to scientists at the University of North Carolina at ...
Biochemistry
Jul 11, 2017
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The U.S. Department of Energy's Critical Materials Institute has developed a computer program, called ParFit, that can vastly reduce the amount of time spent identifying promising chemical compounds used in rare-earth processing ...
Materials Science
Jun 9, 2017
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Researchers from North Carolina State University have demonstrated that molecular dynamics simulations and machine learning techniques could be integrated to create more accurate computer prediction models. These "hyper-predictive" ...
Biochemistry
May 15, 2017
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Scientists from MIPT's Research Center for Molecular Mechanisms of Aging and Age-Related Diseases, together with Inria research center, Grenoble, France, have developed a software package called Knodle to determine an atom's ...
Materials Science
Oct 14, 2016
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Scientists are reporting an advance toward overcoming a major barrier to tapping the potential of traditional Chinese medicine (TCM) and India's Ayurvedic medicine in developing new and more effective modern drugs. Their ...
Biochemistry
Mar 13, 2013
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