Search research articles

ABOUT JoVE

Overview Leadership Blog JoVE Help Center

AUTHORS

Publishing Process Editorial Board Scope & Policies Peer Review FAQ Submit

LIBRARIANS

Testimonials Subscriptions Access Resources Library Advisory Board FAQ

RESEARCH

JoVE Journal Methods Collections JoVE Encyclopedia of Experiments Archive

EDUCATION

JoVE Core JoVE Business JoVE Science Education JoVE Lab Manual Faculty Resource Center Faculty Site

Terms & Conditions of Use

Search research articles

Related Experiment Videos

Computer Aided Analysis of Split and Mix Combinatorial Libraries.

Topiol¹, Davies, Vijayakumar

¹Departments of Core Technology and Metabolic and Cardiovascular Disease, Novartis Institute for Biomedical Research, Novartis Pharmaceuticals Corporation, East Hanover, New Jersey 07936.

Journal of Combinatorial Chemistry

|January 10, 2001

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

An unidentified protozoan parasite from the blood of Atlantic mackerel, Scomber scombrus L.

Journal of fish diseases·2018

Same author

Technique, Efficiency and Safety of Different Nerve Blocks for Analgesia in Laser Ablation and Sclerotherapy for Lower Limb Superficial Venous Insufficiency - A Multicentre Experience.

Journal of clinical and diagnostic research : JCDR·2017

Same author

Compression of Large genomic datasets using COMRAD on Parallel Computing Platform.

Bioinformation·2015

Same author

Relationship between Glycosylated Hemoglobin, Serum Nitric Oxide and Mean Arterial Blood Pressure.

International journal of biomedical science : IJBS·2015

Same author

A mathematical derivation to prove reduced denture retention in v shaped palate.

Journal of Indian Prosthodontic Society·2014

Same author

Robotic devices in surgery.

Minimally invasive therapy & allied technologies : MITAT : official journal of the Society for Minimally Invasive Therapy·2006

Same journal

Editorial.

Journal of combinatorial chemistry·2016

Same journal

2000 Reviewers.

Journal of combinatorial chemistry·2016

Same journal

Editorial.

Journal of combinatorial chemistry·2016

Same journal

Editorial.

Journal of combinatorial chemistry·2016

Same journal

Editorial.

Journal of combinatorial chemistry·2016

Same journal

Editorial.

Journal of combinatorial chemistry·2016

See all related articles

Optimizing combinatorial chemistry, this study introduces a computational scheme to analyze split and pool synthesis strategies. Evaluating different splitting and mixing methods enhances the efficiency of compound library design and deconvolution.

Area of Science:

Medicinal Chemistry
Synthetic Chemistry
Computational Chemistry

Background:

Combinatorial chemistry utilizes split and pool synthesis to create large compound libraries.
Testing and deconvolution of compound mixtures are crucial steps in drug discovery.
Current methods for evaluating synthesis strategies are often manual and time-consuming.

Purpose of the Study:

To develop a computational scheme for analyzing split and pool synthesis strategies.
To optimize the design of compound libraries for efficiency in synthesis and deconvolution.
To evaluate the impact of different splitting and mixing schemes on overall effort.

Main Methods:

A computational approach was developed to exhaustively examine splitting and mixing strategies.

Related Experiment Videos

The scheme considers total library size, combinatorial steps, reaction vessels, and compounds per pool.

Weighting factors were incorporated to score synthesis and deconvolution effort.

Main Results:

The computational scheme systematically evaluates numerous splitting and mixing possibilities.
Different splitting and mixing strategies significantly impact overall library synthesis and deconvolution efficiency.
The study identifies optimal strategies based on user-defined weighting factors.

Conclusions:

The choice of splitting and mixing strategy is critical for efficient compound library design.
Computational analysis provides a robust method for optimizing combinatorial synthesis protocols.
This approach aids researchers in maximizing efficiency and minimizing effort in library development.