A Dömling, I Ugi - Angewandte Chemie International Edition, 2000 - Wiley Online Library
Multicomponent reactions (MCRs) are fundamentally different from two‐component reactions in several aspects. Among the MCRs, those with isocyanides have developed into …
DA Horton, GT Bourne, ML Smythe - Chemical reviews, 2003 - ACS Publications
The exploration of privileged structures in drug discovery is a rapidly emerging theme in medicinal chemistry. These structures represent a class of molecules capable of binding to …
J Yang, Y Cai, K Zhao, H Xie, X Chen - Drug Discovery Today, 2022 - Elsevier
Highlights•Providing concepts and generation processes of chemical fingerprints.• Comparing the algorithms and characteristics among different types of fingerprints.• …
J Bajorath - Nature Reviews Drug Discovery, 2002 - nature.com
High-throughput and virtual screening are important components of modern drug discovery research. Typically, these screening technologies are considered distinct approaches, as …
C Hulme, V Gore - Current medicinal chemistry, 2003 - ingentaconnect.com
With the recent emergence of combinatorial chemistry and high-speed parallel synthesis for drug discovery applications, the multi-component reaction (MCR) has seen a resurgence of …
J Kim, H Kim, SB Park - Journal of the American Chemical Society, 2014 - ACS Publications
In the search for new therapeutic agents for currently incurable diseases, attention has turned to traditionally “undruggable” targets, and collections of drug-like small molecules …
DJ Newman - Journal of medicinal chemistry, 2008 - ACS Publications
From approximately the early 1980s, the “influence of natural products” upon drug discovery in all therapeutic areas apparently has been on the wane because of the advent of …
Using a simple model of ligand− receptor interactions, the interactions between ligands and receptors of varying complexities are studied and the probabilities of binding calculated. It is …
Chemoinformatics draws upon techniques from many disciplines including computer science, mathematics, computational chemistry and data visualisation to tackle these …