#generativechemistry
A nice piece of work from our rising stars Luca Menestrina and Raquel Parrondo! 🔝
🔎 www.mdpi.com/1999-4923/17...

Interested in generating novel small molecules for your new protein targets? Please contact us at info@chemotargets.com.

#ADME #MLmodels #AIDD #generativechemistry #drugclasses
Refined ADME Profiles for ATC Drug Classes
Background: Modern generative chemistry initiatives aim to produce potent and selective novel synthetically feasible molecules with suitable pharmacokinetic properties. General ranges of physicochemic...
www.mdpi.com
February 28, 2025 at 7:44 PM
LLMs’ impact in generative chemistry has been limited to date. We show that a slight change in how you ask the question, simply by switching the input from SMILES to IUPAC, can reduce invalid molecules by >90%.
Learn more: inductive.bio/blog/molecul...
#GenerativeChemistry #AI #ML
Can ChatGPT Speak Chemistry? - Inductive Bio Blog
inductive.bio
May 1, 2025 at 4:01 PM
**Postdoc Research Position** #available in "AI/ML Approaches to Precision Drug Discovery" @iqccudg.bsky.social @univgirona.bsky.social

Interested candidates please contact: jordi.mestres@udg.edu

#fragmentscreening #generativechemistry #drugresistance #precisionmedicine
June 5, 2025 at 1:38 PM