In silico predictive models have proved to be valuable for the optimisation of compound potency, selectivity and safety profiles in the drug discovery process. ChemSAR is an web-accessible platform that provides an easy-to-use interface for the rapid generation of quantitative Structure‑Property and Structure‑Activity classification models for small molecules (including SAR, SPR, SAM) and is aimed at both advanced and users without any programming skills. ChemSAR’s capabilities include the validation and standardisation of chemical structure representation, computation of 783 1D/2D molecular descriptors and 10 types of commonly used fingerprints for small molecules, filtering methods for feature selection, generation of predictive models (a step-by-step job submission process), as well as a helpful report generation system. Results can be visualised through high-quality, customisable plots and be downloaded as certain files.

• A file system that allows users to view files they uploaded in each step.
• According to the tags users could reuse these files conveniently.
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• ChemSAR provides several tools for preprocessing.
• It mainly contains structure preprocessing for molecules and data preprocessing for the dataset.
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• A step-by-step submission process, including four substeps:
   Feature calculation
 Model selection
 Model building
 Prediction
• It provides a easy-to-use and powerful way to construct QSAR models.
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• A specific feature of ChemSAR is that it provides a complete report generation system.
• It retrieves result data of each calculation and transforms them into a HTML page and a PDF for users.
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