Predict and Visualize Chemical Structures Containing Any Elements: Build any organic or inorganic molecule you can imagine, and predict its structure and properties. Input structures from X-ray data or standard database and file formats. Dock molecules in reaction sites. Conformational search tools identify structure-energy relationships.
CAChe includes quantitative tools so you can predict boiling points, toxicity, antibacterial activity, acidity and basicity, vapor pressure, water solubility and more, even for compounds which have never been synthesized.
发表于 2008-5-7 13:40:13
发表于 2008-10-24 12:29:41
