Metabolic Stability Pharmaceuticals Small Molecule 
DrugBank
OCTOBER 17, 2024
By harnessing the vast amounts of data generated throughout the development pipeline, pharmaceutical companies can accelerate the discovery of novel therapies, optimize clinical trial design, enhance drug safety monitoring, and deliver personalized medicine, ultimately improving patient outcomes and transforming the future of healthcare.
Drug Target Review
JUNE 12, 2023
The current version of Chemistry42 uses over 40 generative models, including generative autoencoders and generative adversarial networks as well as both structure-based and ligand-based drug design to generate and optimise de novo small molecules. The novel molecules were further ranked based on their ADME and selectivity profiles.
This site is protected by reCAPTCHA and the Google Privacy Policy and Terms of Service apply.
Metabolite Tales Blog
MAY 12, 2023
Now >20% of all commercialised medicines in the pharmaceutical industry contain a fluorine atom [2]. Even newer from the pharma benches are 12 small molecule drugs highlighted by Chris de Savi [4], whose structures were first disclosed at the ACS and AACR meetings in Q1 2023. Benjamin M. Airaksinen.
Practical Cheminformatics
JANUARY 2, 2024
In a brief section entitled “Predicting Protein-Small Molecule Complexes”, the authors mention their efforts to generate structures of bound non-covalent and covalent small molecule ligands. from the deposited model. Similar issues can impact datasets used for QSAR or ADME modeling.
Drug Target Review
JANUARY 16, 2025
Traditionally, drug discovery has focused on small-molecule therapeutics, typically with a molecular weight of less than 500 Daltons. 2 Typically, small-molecule drugs target active sites buried inside proteins. What are macrocycles and why are they interesting for drug discovery?
Expert insights. Personalized for you.
70 
Let's personalize your content