Solubility prediction, solvate and cocrystal screening as tools for rational crystal engineering

Validation of a Computational Cocrystal Prediction Tool: Comparison of Virtual and Experimental Cocrystal Screening Results

(2013) Tudor Grecu et al.   CRYSTAL GROWTH & DESIGN

Application of COSMO-RS as an excipient ranking tool in early formulation development

(2013) Agnieszka Pozarska et al.   EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES

Critical Evaluation of Implicit Solvent Models for Predicting Aqueous Oxidation Potentials of Neutral Organic Compounds

(2013) Jennifer J. Guerard et al.   Journal of Chemical Theory and Computation

Evaluation of Milling Method on the Surface Energetics of Molecular Crystals Using Inverse Gas Chromatography

(2012) Paul E. Luner et al.   CRYSTAL GROWTH & DESIGN

COSMOquick: A Novel Interface for Fast σ-Profile Composition and Its Application to COSMO-RS Solvent Screening Using Multiple Reference Solvents

(2012) Christoph Loschen et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Rational Coformer or Solvent Selection for Pharmaceutical Cocrystallization or Desolvation

(2012) Yuriy A. Abramov et al.   JOURNAL OF PHARMACEUTICAL SCIENCES

The solvates of sulfamerazine: structural, thermochemical, and desolvation studies

(2011) Srinivasulu Aitipamula et al.   CRYSTENGCOMM

Virtual cocrystal screening

(2011) Daniele Musumeci et al.   Chemical Science

Cocrystal Formation from Solvent Mixtures

(2010) Timo Rager et al.   CRYSTAL GROWTH & DESIGN

COSMO-RS Calculations of Partition Coefficients: Different Tools for Conformation Search

(2009) M. Buggert et al.   CHEMICAL ENGINEERING & TECHNOLOGY

Cambridge Structural Database Analysis of Molecular Complementarity in Cocrystals

(2009) László Fábián   CRYSTAL GROWTH & DESIGN

Solubility of Budesonide, Hydrocortisone, and Prednisolone in Ethanol + Water Mixtures at 298.2 K

(2009) Hany S. M. Ali et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Solubility of Adipic Acid in Acetone, Chloroform, and Toluene

(2008) Dongwei Wei et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

COSMOmic: A Mechanistic Approach to the Calculation of Membrane−Water Partition Coefficients and Internal Distributions within Membranes and Micelles

(2008) Andreas Klamt et al.   JOURNAL OF PHYSICAL CHEMISTRY B