Tubulin Imaging Datasets for Algorithm-Driven, Phenotype-Directed Bioactive Molecular Discovery

This repository contains all the biological data related to Cell Painting Assay and Tubulin-based validation experiments reported in the article ''Algorithm-Driven, Phenotype-Directed Bioactive Molecular Discovery'. There are three main directories as compressed files an one single uploaded separately. 1- High-content-imaging_SYP555.zip: Full data set of microscopy imaging files (384 images captured under three channels: Tubulin - c0, phase contrast - c1, DAPI - c2) for HeLa cell labelling using the SYP555-tubulin probe. To facilitate the navigation on this dataset, the file names contain a scene number that matches the image.ID specified in the data structure.csv file (e.g. Tub-SYP555-HeLa_2587_h0s10t0z0c2x145735-3435y9867-3435, scene/image.ID = 10) saved in the folder containing the biological features measured (Biological-measurements_csv). Additional information such as the aggregated median values, cell counts, experimental conditions and compound nomenclature used, as well as the data underpinning figures 8b and supplementary material have been provided. 2- Immunofluorescen microscopy (IFAs-pSer-H3.zip): This folder contains data related to the analysis of mitotic arrest using antibody labeling on fixed cells. The Maximum intensity projections and raw z-sectioning confocal images (.czi file) are presented in the _uncropped.zip folder. Both numerical values and visualisation output related to the figure 6c can be found in folder Panel_Fig6c.zip. 3- Tubulin biochemical assay (Tub-polymerisation.zip): This folder contains the kinetic rates of tubulin polymerisation measured spectrophotometrically. 4- Raw Cell Painting Assay: The .xlsx file contains raw Cell Painting assay data for the compounds referred to in the manuscript. Each tab represents a different discovery round and lists the Synthesis ID or Paper ID and the corresponding morphological features extracted from high-content imaging (e.g., cell shape, texture, and intensity metrics) in the Cell Painting Assay (MPI Dortmund). The Synthesis ID codes correspond to specific substrate/co-substrate combinations (see Supplementary Information). Data is provided as received, without normalisation or aggregation, and is used for phenotypic profiling, clustering, and model development.