Results 41 to 50 of about 123,989 (167)
D-CyPre: a machine learning-based tool for accurate prediction of human CYP450 enzyme metabolic sites [PDF]
PeerJ Computer ScienceThe advancement of graph neural networks (GNNs) has made it possible to accurately predict metabolic sites. Despite the combination of GNNs with XGBOOST showing impressive performance, this technology has not yet been applied in the realm of metabolic ...
Haolan Yang +11 more
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Frontiers in Genetics, 2021 The neuronal ceroid lipofuscinoses (NCLs), also known as Batten disease, are a group of autosomal recessive lysosomal storage disorders that are characterized by neurodegeneration, progressive cognitive decline, motor impairment, ataxia, loss of vision ...
Paschalis Nicolaou +13 more
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Novel (±)-trans-β-lactam ureas: Synthesis, in silico and in vitro biological profiling
Acta PharmaceuticaA diastereomeric mixture of racemic 3-phthalimido-b-lactam 2a/2b was synthesized by the Staudinger reaction of carboxylic acid activated with 2-chloro-1-methylpyridinium iodide and imine 1. The amino group at the C3 position of the b-lactam ring was used
Jurin Mladenka +6 more
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A systematic review of computational simulation methods for predicting the toxicity of chemical compounds [PDF]
بهداشت و ایمنی کارIntroduction: With the rapid development of new chemicals across various industries and the growing need for efficient and accurate toxicity assessments, in silico methods have emerged as a screening tool due to their cost-effectiveness, time efficiency,
Akram Tabrizi +3 more
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Computational Design and Experimental Evaluation of MERS-CoV siRNAs in Selected Cell Lines
Diagnostics, 2023 Middle East respiratory syndrome coronavirus (MERS-CoV) is caused by a well-known coronavirus first identified in a hospitalized patient in the Kingdom of Saudi Arabia.
Sayed S. Sohrab +5 more
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In Silico Prediction of Pharmacokinetics Properties
ChemInform, 2006 AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
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Molecules, 2021 MERS-CoV was identified for the first time in Jeddah, Saudi Arabia in 2012 in a hospitalized patient. This virus subsequently spread to 27 countries with a total of 939 deaths and 2586 confirmed cases and now has become a serious concern globally. Camels
Sherif Aly El-Kafrawy +5 more
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THE IN SILICO PREDICTION OF PROMOTERS IN BACTERIAL GENOMES [PDF]
Genome Informatics 2007, 2007 In silico approaches to the identification of bacterial promoters are hampered by poor conservation of their characteristic binding sites. This suggests that the usual position weight matrix models of bacterial promoters are incomplete. A number of methods have been used to overcome this inadequacy, one of which is to incorporate structural properties ...
Towsey, Michael +3 more
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MetabolitesMetabolomics, the study of small-molecule metabolites within biological systems, has become a potent instrument for understanding cellular processes.
Dipendra Bhandari +7 more
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Exploring novel MYH7 gene variants using in silico analyses in Korean patients with cardiomyopathy
BMC Medical GenomicsBackground Pathogenic variants of MYH7, which encodes the beta-myosin heavy chain protein, are major causes of dilated and hypertrophic cardiomyopathy. Methods In this study, we used whole-genome sequencing data to identify MYH7 variants in 397 patients ...
Oc-Hee Kim +7 more
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