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Chemical
Database Management - Web Server - Structure Drawing - Diversity -
Clustering - SDF, MOL, ISIS files - Tautomer Search |
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 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
Plexxikon Receives Key Patents on Novel Compounds for Multiple Programs - BERKELEY, Calif.–(BUSINESS WIRE)–Plexxikon Inc. today announced the issuance of key composition-of-matter patents covering novel compounds discovered through the company’s Scaffold-Based Drug Discoveryâ„¢ platform. Plexxikon’s pipeline of preclinical and clinical stage product opportunities currently span potential treatments for cardio-renal disease, CNS disorders, inflammation, metabolic disease and oncology. Two of the three recently issued patents (U.S. patents [...]Molecular Fingerprints Point The Way To Earlier Cancer Diagnosis And More Targeted Treatment - ScienceDaily (Mar. 27, 2009) — Metabolites are molecular fingerprints of what your cells are up to and Dr. Arun Sreekumar wants to know the impression made by cancer. You’ve likely heard about metabolites; your physician probably screens for some known ones such as triglycerides or cholesterol at your annual physical. Scientists suspect we have about [...]
ZINC Database – emolecule repository - What is ZINC? It is a free database of millions of commercially-available compounds for virtual screening in ready-to-dock format. Why is it needed? Compounds that are available today can become unavailable in six months because of unavailability of the underlying reagents. For most vendors, the list of available compounds is significantly smaller than the list [...]
Virtual Screening Gives Drug Design a Boost - San Diego, CA (OBBeC) – Researchers at the University of California, San Diego, developed a unique computational approach to identify key compounds that could lead to new drugs to combat African sleeping sickness — a disease spread by the biting tsetse fly and caused by the parasite Trypanosoma brucei. Around 150,000 people per year get [...]
Otava develops virtual screening system - Mathematical modelling in biology is often a problem with interactions estimation between a biomolecular target and small molecule compounds. Knowledge of this interaction allows the interruption of certain processes in cells, for example it can impede diseases such as cancer. This is why so many efforts focus on designing better models and algorithms for high-throughput [...]
CLC bio release white paper on the world’s fastest Next Generation Sequencing assembly algorithm - Aarhus Denmark — July 23, 2008 — CLC bio has just released a scientific white paper which confirms, that, in benchmarking tests, CLC bio’s new algorithm for assembly of Next Generation Sequencing data is the fastest one available. Not only is CLC bio’s algorithm considerably faster, but it also provides a better quality of the [...]
CLC Genomics Workbench – CLC bio releases Next Generation Sequencing data analysis solution - Aarhus, Denmark — June 12, 2008 — Today, CLC bio released their new Next Generation Sequencing (NGS) solution, CLC Genomics Workbench, which incorporates cutting-edge technology and algorithms, while also supporting and integrating with the rest of a typical NGS workflow. CLC Genomics Workbench is the first comprehensive analysis package which can analyze and visualize data [...]
Idealp-Pharma launches « hit-to-candidate » services - Services to accelerate programs from biological target to first-in-man use Idealp-Pharma is launching fully integrated drug discovery and preclinical development services combining medicinal chemistry, cheminformatics, screening, early ADMET and preclinical development capabilities to speed up partner’s and client’s small molecules programs from biological target to firstin- man use. According to Serge Petit, PhD, President and [...]
Beijing Genomics Institute signs global site license with CLC bio for Next Generation Sequencing software platform - Aarhus Denmark, July 3rd, 2008 – Beijing Genomics Institute (BGI) has signed a global site license agreement for CLC bio’s Next Generation Sequencing solution, CLC Genomics Workbench. The site license covers all researchers at all BGI sites, both inside and outside of China. Head of Bioinformatics Division at BGI, Ruiqiang Li states, “We have chosen [...]
CLC bio moves to new Headquarters in Denmark - Aarhus Denmark — July 10, 2008 — On July 1st, CLC bio moved their Danish headquarters to a newly built office building in the Katrinebjerg area – a fast growing Danish ICT community which also features high-tech companies Google, VMware, and B&O, to name a few – as well as the University of Aarhus and [...]
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