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Drug Dissolution: Requirements and Profile Comparison01:14

Drug Dissolution: Requirements and Profile Comparison

The acceptance criteria for dissolution profile data are anchored in Q values, representing the percentage of drug dissolved within a specified period. This assessment unfolds in three stages:First Stage: The test passes if all six drug dosage units are equal to or greater than Q plus 5%; otherwise, the sample proceeds to the second stage.Second Stage: The average of twelve units must be equal to or greater than Q, with no unit falling below Q - 15% to pass; if not, it progresses to the final...

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APPi: A Multiscale Qualitative-Quantitative Insecticide-Likeness Evaluation Platform and Application.

Jia-Lin Cui1, Qi He1, Bin-Yan Jin1

  • 1Innovation Center of Pesticide Research, Department of Applied Chemistry, College of Science, China Agricultural University, Beijing, China.

Plant Biotechnology Journal
|July 22, 2025
PubMed
Summary
This summary is machine-generated.

Researchers developed the Agrochem Predictive Platform for Insecticide-likeness (APPi) to improve insecticide discovery. This platform enhances virtual screening and lead compound optimization, achieving 85% accuracy in predicting insecticide effectiveness.

Keywords:
fragment scoreinsecticide‐likenessmachine learningmultiscale evaluationweb visualiser

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Area of Science:

  • Agricultural Chemistry
  • Computational Chemistry
  • Toxicology

Background:

  • Pests cause significant global crop losses annually, necessitating effective pest control strategies.
  • Increasing insecticide resistance and limitations of traditional pesticide evaluation methods highlight the need for novel approaches.
  • The 'insecticide-likeness' concept focuses on in vivo biological effects for more accurate lead compound evaluation.

Purpose of the Study:

  • To develop a comprehensive platform for evaluating insecticide-likeness, integrating qualitative and quantitative methods.
  • To establish precise rules and models for predicting the biological activity of potential insecticides.
  • To aid in the early stages of insecticide discovery through improved virtual screening and structure optimization.

Main Methods:

  • Development of the Agrochem Predictive Platform for Insecticide-likeness (APPi).
  • Proposal of qualitative evaluation rules based on physicochemical properties (e.g., ClogP, HBA, HBD).
  • Creation of a quantitative model (APPi model) using a multi-classifier machine learning framework (PUMV).
  • Development of the FragScore Visualiser tool to identify key insecticidal fragments.

Main Results:

  • The APPi platform integrates qualitative rules and a quantitative machine learning model.
  • The APPi model achieved 85% accuracy on an independent external test set, outperforming existing models.
  • The FragScore Visualiser aids in identifying critical insecticidal fragments within compounds.

Conclusions:

  • The APPi platform offers a robust tool for the precise evaluation of insecticide lead compounds.
  • This approach significantly improves the accuracy of predicting insecticide effectiveness in early discovery phases.
  • The APPi platform is freely accessible, supporting advancements in insecticide research and development.