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

GIS Software, Hardware, and Sources of GIS Data01:23

GIS Software, Hardware, and Sources of GIS Data

784
A Geographic Information System (GIS) combines specialized software and hardware to effectively manage, analyze, and present spatial and related data. GIS software includes critical functionalities such as a user interface for easy navigation, database management tools for handling spatial and attribute data, and data retrieval features for efficient access. Analytical tools transform raw data into insights, while display functions produce maps and reports in various formats for effective...
784
Binet's Contribution to Measures of Intelligence01:23

Binet's Contribution to Measures of Intelligence

1.7K
Alfred Binet, along with his student Théophile Simon, was tasked by the French Ministry of Education in 1904 to create a method for identifying students who struggled to learn through conventional classroom instruction. This initiative aimed to address overcrowding by placing such students in specialized schools. Binet and Simon developed an intelligence test comprising 30 tasks, ranging from simple commands, like touching one's nose or ear, to more complex tasks, such as drawing...
1.7K
Wechsler's Contribution to Measures of Intelligence01:23

Wechsler's Contribution to Measures of Intelligence

2.1K
David Wechsler, a psychologist who worked with World War I veterans, developed a significant IQ test in 1939 called the Wechsler-Bellevue Intelligence Scale. This test was innovative because it combined several subtests that measured both verbal and nonverbal skills, reflecting Wechsler's belief that intelligence is a global capacity involving purposeful action, rational thinking, and effective interaction with the environment. This test later evolved into the Wechsler Adult Intelligence...
2.1K
Sinusoidal Sources01:18

Sinusoidal Sources

1.2K
Direct current (DC) refers to an electric current that flows in a single direction, maintaining a constant polarity. This is in contrast to alternating current (AC), which periodically changes its direction and magnitude. AC forms the backbone of modern electricity transmission and distribution systems due to its efficient long-distance transmission capabilities.
In homes, the power supplies use sinusoidal sources to provide electricity. These sources generate a voltage that varies sinusoidally...
1.2K
AC Sources01:20

AC Sources

4.1K
Direct current is a flow of electric charge in only one direction and has a steady state of constant voltage in the circuit. Rectifiers, batteries, commutator-equipped generators, and fuel cells are some examples of devices that generate direct current. Nowadays, most applications use a time-varying voltage source. Alternating current is a flow of electric charge that periodically reverses direction. An alternating current is produced by an alternating emf that is generated in a power plant. If...
4.1K
Sources of Law01:26

Sources of Law

1.9K
Laws form the essential rules set by governing authorities to shape and control societal behavior. In nursing, laws guide actions, safeguard patient rights, define nurses' scope of practice, and maintain professional standards. Understanding the legal framework governing nursing involves recognizing four primary sources of law: constitutional, statutory, administrative (regulatory), and common law.
Constitutional law is foundational, deriving from federal and state constitutions, and...
1.9K

You might also read

Related Articles

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

Sort by
Same author

Beyond Heuristics: A Model-Agnostic Framework for Uncertainty Quantification in QSAR via Adaptive Conformal Prediction.

Chemical research in toxicology·2026
Same author

Artificial Intelligence-Powered Raman Spectroscopy through Open Science and FAIR Principles.

ACS nano·2025
Same author

High-throughput screening data generation, scoring and FAIRification: a case study on nanomaterials.

Journal of cheminformatics·2025
Same author

Interlaboratory Study to Minimize Wavelength Calibration Uncertainty Due to Peak Fitting of Reference Material Spectra in Raman Spectroscopy.

Applied spectroscopy·2025
Same author

Cytotoxicity assessment of HDPE microplastic on Tetrahymena thermophila (Protozoa, Ciliate): Assuring quality and FAIR data.

Chemosphere·2024
Same author

Governance of advanced materials: Shaping a safe and sustainable future.

NanoImpact·2024

Related Experiment Video

Updated: Jan 30, 2026

Imaging C. elegans Embryos using an Epifluorescent Microscope and Open Source Software
08:32

Imaging C. elegans Embryos using an Epifluorescent Microscope and Open Source Software

Published on: March 24, 2011

28.4K

Ambit-GCM: An Open-source Software Tool for Group Contribution Modelling.

Nikolay Kochev1, Vesselina Paskaleva1, Ognyan Pukalov1

  • 1Department of Analytical Chemistry and Computer Chemistry, University of Plovdiv, 24 Tsar Assen St., Plovdiv, 4000, Bulgaria.

Molecular Informatics
|January 18, 2019
PubMed
Summary

Ambit-GCM is a new open-source software tool for group contribution modeling (GCM). It facilitates the creation of molecular property models using additive schemes and validates them with advanced statistical techniques.

Keywords:
Ambitadditive schemegroup contributionmodellingopen-sourcesoftware

More Related Videos

Tracking and Quantifying Developmental Processes in C. elegans Using Open-source Tools
10:41

Tracking and Quantifying Developmental Processes in C. elegans Using Open-source Tools

Published on: December 16, 2015

9.3K
Determining the Contribution of the Energy Systems During Exercise
11:15

Determining the Contribution of the Energy Systems During Exercise

Published on: March 20, 2012

42.4K

Related Experiment Videos

Last Updated: Jan 30, 2026

Imaging C. elegans Embryos using an Epifluorescent Microscope and Open Source Software
08:32

Imaging C. elegans Embryos using an Epifluorescent Microscope and Open Source Software

Published on: March 24, 2011

28.4K
Tracking and Quantifying Developmental Processes in C. elegans Using Open-source Tools
10:41

Tracking and Quantifying Developmental Processes in C. elegans Using Open-source Tools

Published on: December 16, 2015

9.3K
Determining the Contribution of the Energy Systems During Exercise
11:15

Determining the Contribution of the Energy Systems During Exercise

Published on: March 20, 2012

42.4K

Area of Science:

  • Chemoinformatics
  • Computational Chemistry
  • Drug Discovery

Background:

  • Group Contribution Modeling (GCM) is a powerful technique for predicting molecular properties.
  • Existing GCM tools may lack flexibility or comprehensive validation features.
  • The AMBIT platform provides a foundation for developing advanced chemoinformatics tools.

Purpose of the Study:

  • To introduce Ambit-GCM, a novel open-source software tool for group contribution modeling.
  • To provide a flexible environment for creating and validating molecular property models.
  • To enable users to define custom fragments and correction factors for enhanced model accuracy.

Main Methods:

  • Ambit-GCM utilizes the Chemistry Development Kit for molecular representation.
  • It supports additive schemes of zero, first, and second order for GCM.
  • Multiple Linear Regression Analysis (MLRA) is employed for calculating group contributions.
  • Advanced validation techniques including external tests, cross-validation, and y-scrambling are implemented.

Main Results:

  • Ambit-GCM successfully generates GCM fragments from training sets.
  • The tool allows for the incorporation of custom SMARTS notations and external descriptors.
  • Comprehensive statistical characterization of MLRA models is performed.
  • The software can be used standalone for fragmentation or integrated with external statistical packages.

Conclusions:

  • Ambit-GCM offers a robust and flexible platform for group contribution modeling.
  • Its open-source nature and comprehensive features support diverse chemoinformatics applications.
  • The tool aids in the development of accurate predictive models for molecular properties.