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A knowledge-driven framework for predicting single-cell responses for unprofiled drugs

Research Bioinformatics AI

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TL;DR - Feng et al. introduce MAP, a knowledge-driven AI framework for predicting single-cell responses to previously unprofiled drugs. Integrating biological mechanism knowledge improves generalization to untested compounds and supports virtual screening for cancer drug candidates.

  • Predicts cellular responses to chemical perturbations at single-cell resolution.
  • Incorporates biological mechanism knowledge rather than relying solely on observed perturbation data.
  • Targets out-of-distribution generalization to drugs not profiled during training.
  • Demonstrates potential for prioritizing cancer drug candidates through virtual screening.

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A knowledge-driven framework for predicting single-cell responses for unprofiled drugs

Nature Machine Intelligence Jinghao Feng, Ziheng Zhao, Xiaoman Zhang, Mingfei Liu, Jingyi Chen, Xingran Quan, Boyang Fu, Jian Zhang, Yanfeng Wang, Ya Zhang, Weidi Xie 2026-08-26 doi:10.1038/s42256-026-01286-w
Public signals OpenAlex citations 0
Providers: Hugging Face · N/A OpenAlex · Citations 0 Publisher · N/A Semantic Scholar · N/A X · N/A Fetched 2026-09-25 14:28:44.708480 UTC

TL;DR - Feng et al. introduce MAP, a knowledge-driven AI framework for predicting single-cell responses to previously unprofiled drugs. Integrating biological mechanism knowledge improves generalization to untested compounds and supports virtual screening for cancer drug candidates.

  • Predicts cellular responses to chemical perturbations at single-cell resolution.
  • Incorporates biological mechanism knowledge rather than relying solely on observed perturbation data.
  • Targets out-of-distribution generalization to drugs not profiled during training.
  • Demonstrates potential for prioritizing cancer drug candidates through virtual screening.
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