Exploring differential evolution for inverse QSAR analysis [version 1; referees: 2 approved]
Inverse quantitative structure-activity relationship (QSAR) modeling encompasses the generation of compound structures from values of descriptors corresponding to high activity predicted with a given QSAR model. Structure generation proceeds from descriptor coordinates optimized for activity predict...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
F1000 Research Ltd
2017-07-01
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| Series: | F1000Research |
| Subjects: | |
| Online Access: | https://f1000research.com/articles/6-1285/v1 |