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ChemDBsoft Academic Lite   

Price: $50.00

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ChemDBsoft Academic
ChemDBsoft is chemical database software for management of chemistry databases of any size. Data management features include: free structure drawer, 70+ template structures, fast and easy database creation, simple data views and browsing, easy database updates, import and export into various formats such as SDF and MOL, searches by structure and ...
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Chemistry Development Kit 1.5.6 Dev   

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Chemistry Development Kit
... fully blown chemoinformatics package with code reaching from QSAR descriptor calculations to 2D and 3D model building. Programs like the 2D structure editor NMRShiftDB and JChemPaint, a database of organic molecules and their NMR spectra are based on the Chemistry Development Kit (CDK). ...

Open3DQSAR 2.24   

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Open3DQSAR
Open3DQSAR is an open-source tool aimed at pharmacophore exploration by high-throughput chemometric analysis of molecular interaction fields (MIFs). Open3DQSAR can generate steric potential, electron density and MM/QM electrostatic potential fields; furthermore, it can import GRIDKONT binary files produced by GRID and CoMFA/CoMSIA fields (exported from SYBYL with the aid of a ...

Open3DQSAR x64 2.24   

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Open3DQSAR x64
Open3DQSAR x64 is an open-source tool aimed at pharmacophore exploration by high-throughput chemometric analysis of molecular interaction fields (MIFs). Open3DQSAR can generate steric potential, electron density and MM/QM electrostatic potential fields; furthermore, it can import GRIDKONT binary files produced by GRID and CoMFA/CoMSIA fields (exported from SYBYL with the aid of ...

Open3DQSAR for Linux 2.24   

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Open3DQSAR for Linux
Open3DQSAR is an open-source tool aimed at pharmacophore exploration by high-throughput chemometric analysis of molecular interaction fields (MIFs). Open3DQSAR can generate steric potential, electron density and MM/QM electrostatic potential fields; furthermore, it can import GRIDKONT binary files produced by GRID and CoMFA/CoMSIA fields (exported from SYBYL with the aid of a ...

Open3DQSAR for Mac OS X 2.24   

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Open3DQSAR for Mac OS X
Open3DQSAR is an open-source tool aimed at pharmacophore exploration by high-throughput chemometric analysis of molecular interaction fields (MIFs). Open3DQSAR can generate steric potential, electron density and MM/QM electrostatic potential fields; furthermore, it can import GRIDKONT binary files produced by GRID and CoMFA/CoMSIA fields (exported from SYBYL with the aid of a ...
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