In silico formulation prediction of drug/cyclodextrin/polymer ternary complexes by machine learning and molecular modeling techniques

The death of the Job plot, transparency, open science and online tools, uncertainty estimation methods and other developments in supramolecular chemistry data analysis

David Brynn Hibbert, Pall Thordarson · Chemical Communications · 2016 · 991 citations · Full text

Natural Sciences, Chemistry, Computational Chemistry +14

Cyclodextrins and ternary complexes: technology to improve solubility of poorly soluble drugs

Janisse Crestani de Miranda, Tércio Elyan Azevedo Martins, Francisco Veiga et al. · Brazilian Journal of Pharmaceutical Sciences · 2011 · 183 citations · Full text

Pharmacy, Pharmaceutics, Pharmacology +17

Predicting physical stability of solid dispersions by machine learning techniques

Run Han, Hui Xiong, Zhuyifan Ye et al. · Journal of Controlled Release · 2019 · 171 citations

Engineering, Materials Engineering, Materials Science +15

Cyclodextrins as solubilizers: Formation of complex aggregates

Phatsawee Jansook, Sergey V. Kurkov · Journal of Pharmaceutical Sciences · 2009 · 133 citations

Natural Sciences, Chemical Engineering, Chemistry +11

<i>In Silico</i> Prediction of Aqueous Solubility Using Simple QSPR Models: The Importance of Phenol and Phenol-like Moieties

Jogoth Ali, Patrick Camilleri, Marc B. Brown et al. · Journal of Chemical Information and Modeling · 2012 · 123 citations

Pharmacy, Chemistry, Pharmacology +17