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ICM Chemist Pro |
ICM Chemist Pro is a standalone cheminformatics products containing a wide set of 3D chemical tools, chemical superposition, 3D interactive ligand-receptor editing, and QSAR. ICM Chemist Pro contains the features described below as well as all the features contained within ICM Chemist.
 | ICM-Chemist-Pro Contains All the Tools in ICM-Chemist. Draw and edit chemicals, create and view chemical spreadsheets, chemical searching, chemical clustering and trees, combinatorial library generation, local databases, plots and math tools. More... |
 | ICM 3D Interactive Editor. Interactively edit a chemical inside a receptor binding pocket. Modify atoms and groups and see the effect of the changes on ligand binding energy and score. Re-dock and minimize ligand... More... |
 | Convert Chemicals to 3D. Read in SMILES, MOL or SDF and convert to 3D. Browse chemicals in 3D directly from a chemical spreadsheet. All functions can be performed interactively or in batch mode. More... |
 | Atomic Property Fields (APF) is a 3D pharmacophoric potential implemented on a continuously distributed grid which can be used for ligand docking, screening, and superposition. APF can be generated from one or more high affinity scaffolds and seven properties are assigned from empiric physico-chemical components. More... |
 | Chemical Superposition Tools. Rigid and flexible chemical substructure superposition. Atomic property field superposition (a 3D pharmacophoric potential). Tethered and directed superposition tools. More... |
 | Quantitative Structure-Activity Relationship (QSAR). Build and read prediction models. Various methods for linear and non-linear QSAR, machine learning tools for regression or classification, cross validation and boot strapping... More... |
See the Minimum Recommended Hardware Specifications required to run the ICM-Chemist software.
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