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A Psychophysics Paradigm for the Collection and Analysis of Similarity Judgments

A Psychophysics Paradigm for the Collection and Analysis of Similarity Judgments

Published on: March 1, 2022

Dissimilarity-based approaches to compound acquisition.

Michael Lajiness¹, Ian Watson

¹Eli Lilly and Company, 1 Corporate Center, Indianapolis, IN 46285, USA. LajinessMS@Lilly.com

Current Opinion in Chemical Biology

|April 22, 2008

Summary

This summary is machine-generated.

This review details the evolution of computational methods for identifying and acquiring novel compounds in drug discovery. It highlights modern techniques for augmenting proprietary compound collections, crucial for developing new medicines.

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Area of Science:

Medicinal Chemistry
Computational Chemistry
Drug Discovery

Background:

Molecular diversity has been a long-standing concept in drug discovery.
Early applications focused on screening and collection augmentation but had limitations.
Computational procedures have significantly improved over time.

Purpose of the Study:

To review modern computational methods for identifying compounds for acquisition.
To discuss the process and software used in augmenting compound collections.
To underscore the continued relevance of collection augmentation in drug development.

Main Methods:

Review of historical and modern computational approaches.
Analysis of software tools for compound selection.
Focus on processes for identifying commercially viable compounds.

Main Results:

Evolution from crude early methods to sophisticated computational procedures.
Identification of key software and processes for compound acquisition.
Emphasis on the ongoing importance of these methods.

Conclusions:

Modern computational methods enhance the identification of valuable compounds for acquisition.
Augmenting compound collections remains a critical task in drug development.
The review provides insights into current practices and tools.