Toxicity Prediction Method Based on Multi-Channel Convolutional Neural Network
Molecular toxicity prediction is one of the key studies in drug design. In this paper, a deep learning network based on a two-dimension grid of molecules is proposed to predict toxicity. At first, the van der Waals force and hydrogen bond were calculated according to different descriptors of molecul...
| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2019-09-01
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| Series: | Molecules |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1420-3049/24/18/3383 |