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 Experiment Videos

Evolutionary computational methods to predict oral bioavailability QSPRs.

William Bains1, Richard Gilbert, Lilya Sviridenko

  • 1Amedis Pharmaceuticals, Unit 209, Cambridge Science Park, Milton Road, Cambridge, CB4 OGZ, UK. william.bains@amedis-pharma.com

Current Opinion in Drug Discovery & Development
|February 28, 2002
PubMed
Summary
This summary is machine-generated.

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

The Maximum Growth Temperature for Eukaryotes Is Thermodynamically Driven but Ecologically Contingent.

Life (Basel, Switzerland)·2026
Same author

Multi-site temporal control of optogenetic stimulation enhances firing frequencies in peripheral nerves.

bioRxiv : the preprint server for biology·2026
Same author

International Presenter: A Student's Perspective.

The journal of physician assistant education : the official journal of the Physician Assistant Education Association·2026
Same author

Ionic Liquid Biospheres.

Life (Basel, Switzerland)·2026
Same author

Unhooking the Hook: Optimization of the Aurora A Targeting PROTAC <b>JB170</b> to <b>CCT400028</b>, an <i>In Vitro</i> Degrader Chemical Probe.

Journal of medicinal chemistry·2026
Same author

2025 Canadian Surgery Forum: Sept. 17-20, 2025.

Canadian journal of surgery. Journal canadien de chirurgie·2025
Same journal

Microreactors for continuous processing – How close to commercial utility?

Current opinion in drug discovery & development·2010
Same journal

Synthesis of polyketide natural products and analogs as promising anticancer agents.

Current opinion in drug discovery & development·2010
Same journal

Enantioselective synthesis of substituted oxindoles and spirooxindoles with applications in drug discovery.

Current opinion in drug discovery & development·2010
Same journal

Eliminating pharmaceutical impurities: Recent advances in detection techniques.

Current opinion in drug discovery & development·2010
Same journal

Stereoselective heterocycle synthesis through oxidative carbon-hydrogen bond activation.

Current opinion in drug discovery & development·2010
Same journal

Catalysis in aqueous media for the synthesis of drug-like molecules.

Current opinion in drug discovery & development·2010
See all related articles

Predicting drug oral bioavailability (OB) from chemical structure is achievable using evolutionary computing methods like Genetic Programming (GP). These computational approaches offer valuable insights for pharmaceutical research and drug development.

Area of Science:

  • Computational chemistry
  • Pharmacokinetics
  • Drug discovery

Background:

  • Oral bioavailability (OB) is a critical factor in drug efficacy and development.
  • Predicting OB from chemical structure remains a significant challenge in pharmaceutical research.

Purpose of the Study:

  • To review and compare evolutionary and adaptive computational methods for predicting oral bioavailability (OB) from chemical structure.
  • To assess the feasibility of predicting OB using solely molecular information.

Main Methods:

  • Review of evolutionary computing techniques, specifically Genetic Programming (GP).
  • Comparison of GP with other advanced computational methods for OB prediction.
  • Analysis of methods for handling high-dimensional and noisy data.

Related Experiment Videos

Main Results:

  • Classification of drugs into high and low OB classes based on structure alone is feasible.
  • Initial models demonstrate utility for pharmaceutical research.
  • Quantitative prediction of OB is suggested to be tractable with refined models.

Conclusions:

  • Evolutionary and adaptive computational methods show promise for predicting oral bioavailability.
  • Future advancements will likely involve hybrid models combining mechanistic biological understanding with in silico computational power.