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Updated: Sep 30, 2025

A Fluorescence-based Lymphocyte Assay Suitable for High-throughput Screening of Small Molecules

A Fluorescence-based Lymphocyte Assay Suitable for High-throughput Screening of Small Molecules

Published on: March 10, 2017

High-Throughput Screening Assay Profiling for Large Chemical Databases.

Daniel P Russo^1,2, Hao Zhu^3,4

¹Center for Computational and Integrative Biology, Rutgers University, Camden, NJ, USA.

Methods in Molecular Biology (Clifton, N.J.)

|March 16, 2022

Summary

This summary is machine-generated.

High-throughput screening (HTS) data from PubChem is valuable for toxicology. This study presents two methods to efficiently download large HTS datasets for informatics analysis.

Keywords:

Biological data CIIPro In vitro profiling PubChem

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Area of Science:

Toxicology
cheminformatics
computational toxicology

Background:

High-throughput screening (HTS) generates vast amounts of chemical assay data.
PubChem is a public repository for HTS data, crucial for understanding chemical interactions and toxicity mechanisms.
Accessing large HTS datasets from PubChem for analysis is challenging via the web portal.

Purpose of the Study:

To introduce practical methods for obtaining large-scale HTS assay results from PubChem.
To facilitate toxicological research and informatics analysis using PubChem data.

Main Methods:

Programmatic access using PubChem's PUG-REST web service with Python.
Utilizing the Chemical In vitro-In vivo Profiling (CIIPro) portal for non-programmers.

Main Results:

Demonstration of two distinct approaches for bulk data retrieval from PubChem.
Enabling efficient data acquisition for large chemical sets.

Conclusions:

Both programmatic and user-friendly portal methods facilitate access to large PubChem HTS datasets.
These methods support advanced toxicological modeling and analysis.