شیمی حالت جامد دارویی محاسباتی ۲۰۱۶
Computational Pharmaceutical Solid State Chemistry 2016

1. COVER

2. TITLE PAGE

3. TABLE OF CONTENTS

4. LIST OF CONTRIBUTORS

5. PREFACE

6. EDITOR’S BIOGRAPHY

1 COMPUTATIONAL PHARMACEUTICAL SOLID-STATE CHEMISTRY

2 NAVIGATING THE SOLID FORM LANDSCAPE WITH STRUCTURAL INFORMATICS

3 THEORETICAL HYDROGEN-BONDING ANALYSIS FOR ASSESSMENT OF PHYSICAL STABILITY OF PHARMACEUTICAL SOLID FORMS

4 IMPROVING FORCE FIELD PARAMETERS FOR SMALL-MOLECULE CONFORMATION GENERATION

5 ADVANCES IN CRYSTAL STRUCTURE PREDICTION AND APPLICATIONS TO PHARMACEUTICAL MATERIALS

6 INTEGRATING COMPUTATIONAL MATERIALS SCIENCE TOOLS IN FORM AND FORMULATION DESIGN

7 CURRENT COMPUTATIONAL APPROACHES AT ASTRAZENECA FOR SOLID-STATE AND PROPERTY PREDICTIONS

8 SYNTHONIC ENGINEERING

9 NEW DEVELOPMENTS IN PREDICTION OF SOLID-STATE SOLUBILITY AND COCRYSTALLIZATION USING COSMO-RS THEORY

10 MODELING AND PREDICTION OF SOLID SOLUBILITY BY GE MODELS

11 MOLECULAR SIMULATION METHODS TO COMPUTE INTRINSIC AQUEOUS SOLUBILITY OF CRYSTALLINE DRUG-LIKE MOLECULES

12 CALCULATION OF NMR TENSORS

13 MOLECULAR DYNAMICS SIMULATIONS OF AMORPHOUS SYSTEMS

14 NUMERICAL SIMULATIONS OF UNIT OPERATIONS IN PHARMACEUTICAL SOLID DOSE MANUFACTURING

21. INDEX

22. END USER LICENSE AGREEMENT