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
- Editing Table
- Editing Form
- Drawing Structures
- SDF File Import
- SDF File Export
- LST File Export
Cheminformatics Glossary
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Chemistry Resources (add resource)

www.timtec.net - compound libraries, chemical building blocks, natural products, chemical reagents

Chemistry Software - synthesis planning, logP prediction, molecular diversity, Hydrogen bond thermodynamics, pK Prediction, Cheminformatics Glossary, Chemical Glossary

www.bioscreening.com - drug discovery portal - compound libraries, building blocks, software for HTS, structure search

www.bioscreening.net - drug-like compounds, compound libraries, HT screening, cheminformatics glossary

www.buyreagents.com - biotechnology reagents, dPEG™ Reagents, buffers, Biotinylation Reagents, natural products

HPLC Columns - Aqua Way Cation - Aqua Way Philic - Gossypol - Genipin

HPLC Portal - HPLC links, news, education, reference, training, HPLC columns and equipment

Chemistry Database Software ChemDBsoft

New for chemical vendors: Chemical Structure-Searchable CDROM Catalogs

Software Features and Versions ChemDBsoft Lite Demo ChemDBsoft Lite ChemDBsoft Standard

Download Order Order

Drawing of structures Yes Yes Yes

Search by structure, substructure and similarity Yes Yes Yes

Atoms available for structure drawing C, N, O, P, S, Cl, Br, F, Si, D All atoms from periodic table All atoms from periodic table

Batch SDF import/export Limited to 10 Unlimited Unlimited

Database size Limited to 50,000 Limited to 50,000 10,000,000

Number of databases Unlimited Unlimited Unlimited

Structure templates 10 70 70

Synthesis planning N/A N/A Yes

Technical support N/A Yes Yes

Manual Download Download Paper

Free database of available organic compounds, building Blocks and intermediates Yes Yes Yes

Additional Modules (Purchased separately)

Barcode module N/A N/A Yes

Drug Like properties calculation:
Lipinski, H- Donors, H-Acceptors, Rotation Bonds, N+O, Polar Surface Area (PSA) N/A N/A Yes

Diversity and Similarity Analysis and Sorting N/A N/A Yes

Software for HTS and Combinatorial Chemistry

Structure Processing (SDF, MOL files browser, editor, converter, analyzer) N/A N/A Yes

Spectra Management (NMR, MASS, and IR spectra processing) N/A N/A Yes

Chemical Database Web Server Software N/A N/A Yes

Chemical Glossary (20,000 chemicals with names and structures) N/A N/A Yes

Chemistry Software News

CLC bio to collaborate with Microsoft on integrating life science technology - Boston, USA — April 29, 2008 — Today at the Bio-IT World Conference & Expo in Boston, USA, CLC bio announced collaboration with Microsoft Corp. on integrating CLC bio’s extensive bioinformatics solutions with Microsoft’s software platform, for the benefit of companies, corporations, and institutions in the biotech, pharmaceutical, and life science sectors. CLC bio has [...]
Evotec Expands Collaboration with InterMune - Hamburg, Germany | Oxford, UK- Evotec AG (Frankfurt Stock Exchange: EVT) today announced that InterMune, Inc., has signed a second drug discovery contract with Evotec. Evotec will support InterMune’s research efforts using their medicinal chemistry know-how. In addition, they will utilize their expertise and technologies in computational chemistry, protein production, X-Ray crystallography and ADMET to further [...]
CLC bio provides bioinformatics solution for vaccine target development to ACE BioSciences - Odense & Aarhus, Denmark — December 18, 2007 — ACE BioSciences, an emerging pharmaceutical company focused on developing novel protein-based vaccines and antibodies to address infectious diseases, and CLC bio, the world’s leading bioinformatics solutions provider, today announced a collaborative bioinformatics agreement. Dr. Ingelise Saunders, Chief Executive Officer at ACE BioSciences [...]
CLC bio helps increase productivity with new integrable database solution - Aarhus, Denmark — November 29th, 2007 — CLC bio, the worldâ€™s leading bioinformatics solution provider, today announced the release of CLC Bioinformatics Database. This powerful and versatile database solution enables research organizations, from small university departments and clinical labs to large biotech and pharmaceutical companies, to maximize their potential, through [...]
New Database Screening Criteria Improves Identification Of Anticancer Drugs - Scientists in Indiana and Michigan have developed a better way of mining a vast computerized database for chemical nuggets that could become tomorrow’s cancer medications. The new “data mining” method pinpoints chemical structures with drug-like activity. It could speed the identification and development of new, more effective drugs against breast, prostate, lung and other cancers. Computers have [...]
Upstream Biosciences Launches Chemoinformatics Program to Extend Its Drug Discovery Capabilities - Upstream Biosciences Inc. (OTCBB: UPBS) today announced it is establishing a Chemoinformatics Program to extend its drug discovery efforts into additional disease areas. Upstream’s Chemoinformatics Program combines artificial intelligence, advanced computational methods and chemical diversity techniques that will be applied to the company’s proprietary drug scaffolds and compound library. This effort will initially build on [...]
Reducing the ‘what ifs’ in drug discovery - With emergence of specialised software applications, drug discovery has become a highly cost-competitive area for Indian pharma companies. Nagesh Joshi examines the use of specialised software applications in drug discovery Drug discovery was the main aim of any pharma company, prior to the advent [...]
BIO-Europe 2007 to Offer Free Access to DMS Biotech Industry Database - Carlsbad, CA, and Washington D.C., Sept. 27, 2007 â€“ EBD Group and the Biotechnology Industry Organization (BIO) today announced a collaboration with DMS Data Systems, a provider of online life sciences industry data, to provide BIO-Europe 2007 attendees with access to the DMS Data Center, which contains information on specific diseases, technologies and other market-specific [...]
CLC bio solves bioinformatics data management challenges with release of database solution - Aarhus, Denmark — October 12th, 2007 — CLC bio, the world’s leading bioinformatics solution provider, today announced a November release of CLC Bioinformatics Database. This powerful and versatile database solution - currently in beta-testing - enables users of CLC bio’s DNA, RNA, and protein sequence analysis software to store and work on their sequence data [...]
Spellex releases Spellex Biotech v.2007, the newest upgrade of the worldâ€™s first Bioscience spell checking software. - TAMPA, FL — Spellex Corporation announces the new release of the 2007 version of their popular bioscience spelling software for Microsoft and other programs. The new release includes more than 200,000 specialty words from the bioscience industry and new spelling engine enhancements. Benefits:Â Â The Spellex Biotech spelling dictionary allows users to save time and increase [...]