نتایج جستجو برای: molecular screening

تعداد نتایج: 847376  

Journal: :Lecture Notes in Computer Science 2023

With the prospect of automating a number chemical tasks with high fidelity, language processing models are emerging at rapid speed. Here, we present cloud-based real-time platform that allows users to virtually screen molecules interest. For this purpose, molecular embeddings inferred from recently proposed large model, named MolFormer, leveraged. The currently supports three tasks: nearest nei...

Journal: :International Journal of General Medicine 2009

Journal: :Journal of chemical information and computer sciences 2003
Yongping Pan Niu Huang Sam Cho Alexander D. MacKerell

Virtual database screening allows for millions of chemical compounds to be computationally selected based on structural complimentary to known inhibitors or to a target binding site on a biological macromolecule. Compound selection in virtual database screening when targeting a biological macromolecule is typically based on the interaction energy between the chemical compound and the target mac...

2003
Alan Shanske

Screening for genetic disorders in newborns began in 1962 with the use of Guthrie’s bacterial inhibition test for phenylalanine quantification. It resulted in the development of many other tests used in the mass screening of newborns for metabolic defects, endocrinopathies, hemoglobinopathies, and cystic fibrosis. Despite the explosion in molecular biology and the recent decoding of the human g...

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