CIESC Journal ›› 2020, Vol. 71 ›› Issue (10): 4462-4472.DOI: 10.11949/0438-1157.20200814
• Reviews and monographs • Previous Articles Next Articles
Luyao TIAN(),Zihao WANG,Yang SU,Huaqiang WEN,Weifeng SHEN()
Received:
2020-06-22
Revised:
2020-07-24
Online:
2020-10-05
Published:
2020-10-05
Contact:
Weifeng SHEN
通讯作者:
申威峰
作者简介:
田璐瑶(1996—),女,硕士研究生,基金资助:
CLC Number:
Luyao TIAN, Zihao WANG, Yang SU, Huaqiang WEN, Weifeng SHEN. Research advances in deep learning based quantitative structure-property relationship modeling of solvents[J]. CIESC Journal, 2020, 71(10): 4462-4472.
田璐瑶, 王梓豪, 粟杨, 文华强, 申威峰. 基于深度学习的溶剂定量构效关系建模研究进展[J]. 化工学报, 2020, 71(10): 4462-4472.
方法 | 研究对象 | 文献 |
---|---|---|
深度信念网络(DBN) | 抗HIV活性 | [ |
递归神经网络(RNN) | 药物分子的水溶性 | [ |
卷积神经网络(CNN) | 毒性、活性和溶剂化性质 | [ |
长短期记忆-卷积神经 网络(LSTM-CNN) | 药物分子的毒性和 活性 | [ |
Table 1 Studies of deep learning based quantitative structure-property relationship
方法 | 研究对象 | 文献 |
---|---|---|
深度信念网络(DBN) | 抗HIV活性 | [ |
递归神经网络(RNN) | 药物分子的水溶性 | [ |
卷积神经网络(CNN) | 毒性、活性和溶剂化性质 | [ |
长短期记忆-卷积神经 网络(LSTM-CNN) | 药物分子的毒性和 活性 | [ |
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