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Updated: Jul 6, 2025

In Vivo Modeling of the Morbid Human Genome using Danio rerio
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RediscMol:对生物特性中的分子生成模型进行基准测试

Gaoqi Weng1, Huifeng Zhao1, Dou Nie1

  • 1Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang UniversityHangzhou 310058, Zhejiang, China.

Journal of medicinal chemistry
|January 5, 2024
PubMed
概括

深度学习模型可以生成新的分子. RediscMol基准显示,一些模型擅长重新发现已知的活性化合物,为药物设计提供了洞察力.

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Genome comparison is one of the excellent ways to interpret the evolutionary relationships between organisms. The basic principle of genome comparison is that if two species share a common feature, it is likely encoded by the DNA sequence conserved between both species. The advent of genome sequencing technologies in the late 20th century enabled scientists to understand the concept of conservation of domains between species and helped them to deduce evolutionary relationships across diverse...
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Mechanistic models are utilized in individual analysis using single-source data, but imperfections arise due to data collection errors, preventing perfect prediction of observed data. The mathematical equation involves known values (Xi), observed concentrations (Ci), measurement errors (εi), model parameters (ϕj), and the related function (ƒi) for i number of values. Different least-squares metrics quantify differences between predicted and observed values. The ordinary least...
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Gene families consist of groups of genes proposed to have originated from a common ancestor. Typically these arise through events in which a gene or genes are mistakenly duplicated during cell division. Unlike their parent genes (which are subject to selection pressure to maintain function), these gene copies do not need to preserve their sequences and may evolve at a relatively faster rate.
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