openalexMolecules2026-07-23
LogPpred: An AI-Based Predictive Model for Accurate Estimation of Molecular LogP
Lisa Piazza, Lara Sortino, Al Costa, Clarissa Poles, Federico Fornaseri, Stefano Sainas, et al.
Lipophilicity, commonly described by the n-octanol/water partition coefficient (LogP), is a key physicochemical property influencing the pharmacokinetic behavior of small molecules. Reliable LogP estimation during the early stages of drug discovery is essential to support molecul…