# DeepFrag: a deep convolutional neural network for fragment-based lead optimization

> Research article (Chemical Science, 2021) · cited 100× · AI/ML

**Wikidata**: [openalex:W3161725201](https://www.wikidata.org/wiki/openalex:W3161725201)  
**Source**: https://4ort.xyz/entity/deepfrag-a-deep-convolutional-neural-network-for-fragment-based-lead-optimization