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Chemical
Database Management - Web Server - Structure Drawing - Diversity -
Clustering - SDF, MOL, ISIS files - Tautomer Search
Predict LogP, Solubility, Pk, ADMET - HTS and combinatorial
chemistry - NMR, MASS, and IR Spectra Management - Reaction Modeling
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Structure-Searchable CDROM Catalogs
ChemDB Modules:
ChemDBsoft Lite
ChemDBsoft Standard
- Synthesis Planning
- Chemical Glossary
- Barcode Module
- Template Structures
MOLPRO Package:
Prediction of logP, logD, Solubility, pKa
- SLIPPER: LogP, LogD, LogSw, FA
- MOLDIVS: Diversity and Similarity
- HYBOT-PLUS: H-bond Thermodynamics
- DISCON: pK Prediction
ChemDBsoft Tour:
- New Database Creation
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- Editing Form
- Drawing Structures
- SDF File Import
- SDF File Export
- LST File Export
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Chemistry
Resources (add resource) |
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www.timtec.net
- compound
libraries, chemical building
blocks, natural
products, chemical
reagents |
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Chemistry Software - synthesis
planning, logP
prediction, molecular
diversity, Hydrogen bond thermodynamics,
pK Prediction,
Cheminformatics Glossary,
Chemical
Glossary |
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www.bioscreening.com
- drug discovery portal - compound
libraries, building
blocks, software for HTS,
structure search |
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www.bioscreening.net - drug-like
compounds, compound
libraries, HT
screening, cheminformatics
glossary |
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www.buyreagents.com
- biotechnology
reagents, dPEG™ Reagents,
buffers,
Biotinylation Reagents,
natural products |
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HPLC Columns -
Aqua Way Cation
- Aqua Way
Philic - Gossypol
- Genipin |
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HPLC Portal - HPLC links, news, education, reference, training, HPLC columns and
equipment |
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 Barcode Module
Barcode module is used to search databases by scanning barcodes or by just entering text.
Barcode search is very fast. It does not take any time to go record 100,000 in a 120,000 record database! The barcode reader should be set to produce after each read. Usually it is already set for this or you can set it following the instructions manual. If it does not do this, then simply hit "ENTER" after a barcode is read.
If a barcode does not exist in the database, there will be a pop-up error message. User can also type text instead of using a barcode reader.
How it works:
1) Open CheDbsoft application
2) Open the Barcode/Text search window
3) Select the database, the ID/Barcode field and click 'initialize'
Installation:
copy TextSearch.dll into your ChemDB directory. For example C:/chemdbsoft
         
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