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Updated: Mar 1, 2026

A New Straightforward Method for Lipophilicity logP Measurement using 19F NMR Spectroscopy
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A New Straightforward Method for Lipophilicity logP Measurement using 19F NMR Spectroscopy

Published on: January 30, 2019

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基于图形的变压器来预测八醇-水分区系数

Vyacheslav Grigorev1, Nikita Serov2, Timur Gimadiev1,2

  • 1A.M. Butlerov Institute of Chemistry, Kazan Federal University, 18 Kremlyovskaya Str, Kazan, 420008, Russia.

Journal of cheminformatics
|February 27, 2026
PubMed
概括

我们开发了GraphormerLogP,这是一种用于预测药物脂友性 (logP) 的深度学习模型. 它在大型数据集上实现了高精度,有助于新药的发现.

关键词:
图形神经网络是一个神经网络.脂友性 脂友性 脂友性变压器变压器变压器的 logPP 记录.

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