A round-robin exercise for the precise prediction of aqueous solubility
Journal of Computer-Aided Molecular Design (2026) 40:143
@springernature.com
doi.org/10.1007/s108...

#Cheminformatics #RoundRobin #Solubility #Predictions #Validation #MachineLearning #DeepLearning #qRASAR #QSAR

The first paper on #qRASAR was published by the DTC Laboratory, Jadavpur University in June 2022: doi.org/10.1007/s110....

A SCOPUS search using the keyword "q-RASAR" made on May 1, 2026, returned 51 articles published in the last 4 years. www.scopus.com/pages/search...

The integration of the #qRASAR with the #ARKA framework provides novel measures of similarity and indices for activity cliffs.

𝐓𝐡𝐞 𝐪-𝐑𝐀𝐒𝐀𝐑 𝐒𝐩𝐫𝐢𝐧𝐠𝐞𝐫𝐁𝐫𝐢𝐞𝐟: link.springer.com/book/10.1007...

𝐓𝐡𝐞 𝐀𝐑𝐊𝐀 𝐒𝐩𝐫𝐢𝐧𝐠𝐞𝐫𝐁𝐫𝐢𝐞𝐟: link.springer.com/book/10.1007...

Das & Ojha (2026): QSAR/q-RASAR models to predict toxicity of pharmaceuticals in cats (Felis catus), a sensitive sentinel species.
alvaDesc was used to calculate molecular descriptors.

📄 doi.org/10.1016/j.jh...
🔗 alvascience.com/alvadesc/

#QSAR #qRASAR #Cheminformatics #chemsky