Low solubility in drug development: de-convoluting the relative importance of solvation and crystal packing

In Silico Solid State Perturbation for Solubility Improvement

(2014) Lars-Erik Briggner et al.   ChemMedChem

Uniting Cheminformatics and Chemical Theory To Predict the Intrinsic Aqueous Solubility of Crystalline Druglike Molecules

(2014) James L. McDonagh et al.   Journal of Chemical Information and Modeling

Using Dissolution and Pharmacokinetics Studies of Crystal Form to Optimize the Original Iloperidone

(2013) Tingting Zhang et al.   CRYSTAL GROWTH & DESIGN

Optimizing Solubility and Permeability of a Biopharmaceutics Classification System (BCS) Class 4 Antibiotic Drug Using Lipophilic Fragments Disturbing the Crystal Lattice

(2013) Ulrika Tehler et al.   JOURNAL OF MEDICINAL CHEMISTRY

Thermodynamic Approaches to the Challenges of Solubility in Drug Discovery and Development

(2013) German L. Perlovich   MOLECULAR PHARMACEUTICS

Capturing the Crystal: Prediction of Enthalpy of Sublimation, Crystal Lattice Energy, and Melting Points of Organic Compounds

(2012) Maryam Salahinejad et al.   Journal of Chemical Information and Modeling

3DRISM Multigrid Algorithm for Fast Solvation Free Energy Calculations

(2012) Volodymyr P. Sergiievskyi et al.   Journal of Chemical Theory and Computation

First-Principles Calculation of the Intrinsic Aqueous Solubility of Crystalline Druglike Molecules

(2012) David S. Palmer et al.   Journal of Chemical Theory and Computation

Use of Small-Molecule Crystal Structures To Address Solubility in a Novel Series of G Protein Coupled Receptor 119 Agonists: Optimization of a Lead and in Vivo Evaluation

(2012) James S. Scott et al.   JOURNAL OF MEDICINAL CHEMISTRY

Improvement in Aqueous Solubility in Small Molecule Drug Discovery Programs by Disruption of Molecular Planarity and Symmetry

(2011) Minoru Ishikawa et al.   JOURNAL OF MEDICINAL CHEMISTRY

The COSMO and COSMO-RS solvation models

(2011) Andreas Klamt   Wiley Interdisciplinary Reviews-Computational Molecular Science

Getting physical in drug discovery: a contemporary perspective on solubility and hydrophobicity

(2010) Alan P. Hill et al.   DRUG DISCOVERY TODAY

Drug-Like Property Concepts in Pharmaceutical Design

(2009) Li Di et al.   CURRENT PHARMACEUTICAL DESIGN

Prediction of aqueous solubility from SCRATCH

(2009) Parijat Jain et al.   INTERNATIONAL JOURNAL OF PHARMACEUTICS

Solubility Challenge: Can You Predict Solubilities of 32 Molecules Using a Database of 100 Reliable Measurements?

(2008) Antonio Llinàs et al.   Journal of Chemical Information and Modeling

Predicting Intrinsic Aqueous Solubility by a Thermodynamic Cycle

(2008) David S. Palmer et al.   MOLECULAR PHARMACEUTICS