Hybrid Improved Grey Wolf Support Vector Regression Algorithm for Modeling Solubilities of APIs in Pure Ionic Liquids: σ-Profile Descriptors
Imane Euldji,
Widad Benmouloud,
Kamil Paduszyński
et al.
Abstract:The objective of this study was to model the solubility of active pharmaceutical ingredients (APIs) in different ionic liquids (ILs) based on the σ-moments of cations, anions, and APIs that were used as molecular descriptors calculated using the σ-profiles of three categories of descriptors based on conductor-like screening model for real solvents. The database of 83 API-ILs systems composed of 14 APIs, 12 cations, and 7 anions (25 ILs combinations) was collected as 850 data points at different temperature ran… Show more
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