Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Concept Videos

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Printed Liquid Metal-Solid Metal Hybrid Electrodes for Stabilizing Liquid Platinum-Gallium Droplets During Electrocatalysis.

Small (Weinheim an der Bergstrasse, Germany)·2026
Same author

Interactions of nanoparticles with living and synthetic bio-membranes.

Chemical Society reviews·2025
Same author

Cage Amine Superbases: Synthesis and Studies of Nona(ethylene)Hexamine and Dodeka(ethylene)Octamine.

Chemistry (Weinheim an der Bergstrasse, Germany)·2025
Same author

Gold Nanoparticle Adsorption and Uptake are Directed by Particle Capping Agent.

Small science·2025
Same author

Single-particle adsorption of ultra-small gold nanoparticles at the biomembrane phase boundary.

Colloids and surfaces. B, Biointerfaces·2025
Same author

Liquid Metal Electrocatalyst with Ultralow Pt Loading for Ethanol Oxidation.

Small science·2025
Same journal

Modeling and analysis of forward and inverse kinematics for a flexible Stewart platform.

PloS one·2026
Same journal

Barriers and facilitators to healthcare utilization amongst people living with sickle cell disease in the United States: A scoping review.

PloS one·2026
Same journal

Enhancing data completeness in time series: Imputation strategies for missing data using significant periodically correlated components.

PloS one·2026
Same journal

Key targets and mechanisms by which gut microbiota-derived metabolites regulate Alzheimer's disease through the immune - inflammatory pathway: Based on network pharmacology and molecular docking.

PloS one·2026
Same journal

Grid-tied Transformer-less Boost Switched Capacitor Topology (TLBSCT) for PV applications.

PloS one·2026
Same journal

The load-velocity profiles and exercise-specific velocity zones for seven commonly used weightlifting exercises.

PloS one·2026
See all related articles

Related Experiment Video

Updated: Mar 12, 2026

Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions
08:31

Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions

Published on: December 1, 2020

5.6K

BioPPSy: An Open-Source Platform for QSAR/QSPR Analysis.

Marta Enciso1, Nastaran Meftahi1, Michael L Walker1

  • 1Department of Chemistry and Physics, La Trobe Institute for Molecular Science, La Trobe University, Victoria 3086, Australia.

Plos One
|November 11, 2016
PubMed
Summary
This summary is machine-generated.

Assessing quantitative structure-property relationship (QSPR) and quantitative structure-activity relationship (QSAR) models is challenging. BioPPSy is a new open-source software platform that simplifies QSPR/QSAR model reliability assessment for drug discovery properties.

More Related Videos

Online Size-exclusion and Ion-exchange Chromatography on a SAXS Beamline
11:09

Online Size-exclusion and Ion-exchange Chromatography on a SAXS Beamline

Published on: January 5, 2017

18.1K
An Integrated Workflow of Identification and Quantification on FDR Control-Based Untargeted Metabolome
05:35

An Integrated Workflow of Identification and Quantification on FDR Control-Based Untargeted Metabolome

Published on: September 20, 2022

4.3K

Related Experiment Videos

Last Updated: Mar 12, 2026

Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions
08:31

Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions

Published on: December 1, 2020

5.6K
Online Size-exclusion and Ion-exchange Chromatography on a SAXS Beamline
11:09

Online Size-exclusion and Ion-exchange Chromatography on a SAXS Beamline

Published on: January 5, 2017

18.1K
An Integrated Workflow of Identification and Quantification on FDR Control-Based Untargeted Metabolome
05:35

An Integrated Workflow of Identification and Quantification on FDR Control-Based Untargeted Metabolome

Published on: September 20, 2022

4.3K

Area of Science:

  • Computational chemistry
  • cheminformatics
  • Drug discovery

Background:

  • Quantitative structure-property relationship (QSPR) and quantitative structure-activity relationship (QSAR) models are crucial in drug discovery.
  • Assessing the reliability of these models is often hindered by limited access to the tools and data used in their development.
  • This lack of transparency can impede model validation and adoption.

Purpose of the Study:

  • To introduce BioPPSy, an open-source software platform designed to enhance the accessibility and reliability assessment of QSPR/QSAR models.
  • To provide a user-friendly tool for calculating key drug discovery properties.
  • To facilitate reproducible research in computational chemistry and drug design.

Main Methods:

  • Development of an open-source software platform, BioPPSy.
  • Implementation of modules for calculating essential drug discovery properties.
  • Validation of the platform by comparing calculated properties against literature data.

Main Results:

  • BioPPSy successfully calculates key drug discovery properties: aqueous solubility, Caco-2 cell permeability, and blood-brain barrier permeability.
  • The software provides a comparable performance to previously reported methods for these properties.
  • The open-source nature allows for transparent evaluation and use of the models and data.

Conclusions:

  • BioPPSy addresses the critical need for accessible and reliable QSPR/QSAR modeling tools.
  • The platform empowers researchers to more easily assess and utilize predictive models in drug discovery.
  • Open access to software, models, and databases promotes scientific rigor and innovation.