Dataset design for building models of chemical reactivity
Models can codify our understanding of chemical reactivity and serve a useful purpose in
the development of new synthetic processes via, for example, evaluating hypothetical …
the development of new synthetic processes via, for example, evaluating hypothetical …
Molecular glues and bifunctional compounds: Therapeutic modalities based on induced proximity
SL Schreiber - Cell Chemical Biology, 2024 - cell.com
This Perspective explores molecular glues and bifunctional compounds—proximity-inducing
compounds—and offers a framework to understand and exploit their similarity to hotspots …
compounds—and offers a framework to understand and exploit their similarity to hotspots …
Innovative On-DNA Synthesis of Sulfides and Sulfoximines: Enriching the DEL Synthesis Toolbox
Z Sun, Y Zhong, Y Chen, L Xiao, J Wang, F Zeng… - Organic …, 2024 - ACS Publications
DNA-encoded library (DEL) technologies enable the fast exploration of gigantic chemical
space to identify ligands for the target protein of interest and have become a powerful hit …
space to identify ligands for the target protein of interest and have become a powerful hit …
Using DNA-encoded libraries of fragments for hit discovery of challenging therapeutic targets
G Zhao, M Zhu, Y Li, G Zhang, Y Li - Expert Opinion on Drug …, 2024 - Taylor & Francis
ABSTRACT Introduction The effectiveness of Fragment-based drug design (FBDD) for
targeting challenging therapeutic targets has been hindered by two factors: the small library …
targeting challenging therapeutic targets has been hindered by two factors: the small library …
DEL+ ML paradigm for actionable hit discovery–a cross DEL and cross ML model assessment.
DNA-Encoded Library (DEL) technology allows the screening of millions, or even billions, of
encoded compounds in a pooled fashion which is faster and cheaper than traditional …
encoded compounds in a pooled fashion which is faster and cheaper than traditional …
Design, synthesis, and high-throughput in vitro anti-cancer evaluation of novel 4-aminopyrazolo [3, 4-d] pyrimidine derivatives: potential anti-cancer candidates …
A Dash, G Vaddamanu, MB Hawsawi, MS Alluhaibi… - RSC …, 2024 - pubs.rsc.org
A novel series of 20 compounds containing 4-aminopyrazolo [3, 4-d] pyrimidine core were
synthesized, characterized and their chemical structures confirmed using spectroscopic …
synthesized, characterized and their chemical structures confirmed using spectroscopic …
Have spirocyclic scaffolds been properly utilized in recent drug discovery efforts?
E Benedetti, L Micouin - Expert Opinion on Drug Discovery, 2024 - Taylor & Francis
Spirocycles are structures in which two or more rings are linked by one common atom.
Although the use of such scaffolds has been known for more than 60 years in medicinal …
Although the use of such scaffolds has been known for more than 60 years in medicinal …