MGCVAE: Multi-Objective Inverse Design via Molecular Graph Conditional Variational Autoencoder
The ultimate goal of various fields is to directly generate molecules with desired properties, such as water-soluble molecules in drug development and molecules suitable for organic light-emitting diodes or photosensitizers in the field of development of new organic materials. This study proposes a...
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| Published in: | Journal of chemical information and modeling Vol. 62; no. 12; p. 2943 |
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| Main Authors: | , |
| Format: | Journal Article |
| Language: | English |
| Published: |
United States
27.06.2022
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| ISSN: | 1549-960X, 1549-960X |
| Online Access: | Get more information |
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