arXiv:2606. 03435v1 Announce Type: new Abstract: Cell Painting combines multiplexed fluorescent staining, high-content imaging, and quantitative analysis to generate high-dimensional phenotypic readouts to support diverse downstream tasks such as mechanism-of-action (MoA) inference, toxicity prediction, and construction of drug-disease atlases.
The paper presents MoCoP v2, an enhanced contrastive pretraining method that aligns small molecule embeddings with deep‑learning‑derived cell morphology profiles. By replacing CellProfiler fingerprints with richer image‑encoded features, the new embeddings better capture how molecules alter cell morphology, leading to improved QSAR, toxicity, ADME, and activity predictions. Performance scales log‑linearly with training data size, indicating further gains with larger datasets.
arXiv:2607. 22712v1 Announce Type: cross Abstract: Single-cell light microscopy images have become an important data source for characterizing cell phenotypes, but their complexity and heterogeneity pose challenges to high-throughput automated analysis.
arXiv:2608.07632v2 Announce Type: replace-cross Abstract: Image-based profiling captures rich phenotypic signatures for drug discovery and functional genomics. Large public datasets like JUMP Cell Pa...
arXiv:2610.10473v1 Announce Type: new Abstract: Cell viability assessment is a core requirement in cell culture systems, with critical applications in biopharmaceutical manufacturing and drug develop...
arXiv:2610.07997v1 Announce Type: new Abstract: Molecular encoders contrastively pretrained on paired molecule-morphology data, such as CLOOME and CellCLIP, have been proposed as cheap surrogates for...
arXiv:2607. 25322v1 Announce Type: new Abstract: Multimodal drug discovery enables drug representation learning beyond chemical structure by incorporating cellular responses such as gene expression and cell morphology.
The paper introduces PhenoAIR, a reliability‑aware multi‑agent framework for predicting mechanisms of action (MOA) from Cell Painting morphological profiles. It treats retrieved neighbors as uncertain evidence, calibrating their reliability based on source, phenotype stability, and mechanism confusion, and refines predictions through controller‑guided evidence evaluation. PhenoAIR is benchmarked on JUMP Cell Painting data and outperforms both representation‑matching and LLM‑based baselines across controlled, realistic, and open‑world settings.
arXiv:2607. 14163v1 Announce Type: cross Abstract: Most single-cell foundation models are adapted from language models, representing each cell as a sequence of gene tokens.
arXiv:2607. 17671v1 Announce Type: new Abstract: Large-scale single-cell perturbation atlases make it possible to ask an inverse question: given an observed transcriptional response, which annotated targets and compounds in a fixed library are most consistent with that response?
arXiv:2511. 19264v2 Announce Type: replace-cross Abstract: Generative Flow Networks (GFlowNets) construct molecules through sequential decisions, but their internal policies remain opaque, limiting adoption in drug discovery, where chemists need interpretable rationales for proposed structures.
arXiv:2603. 13377v2 Announce Type: replace-cross Abstract: Representation learning has driven major advances in natural image analysis by enabling models to acquire high-level semantic features.