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| Implementation Team | Lead implementor: W. D. Ihlenfeldt
Computer Chemistry Center, Institute of Organic Chemistry, Univ. of Erlangen-Nuremberg, Germany
Support: M. Nicklaus, B. Bienfait, J. Voigt at LMCh/NCI, Bethesda/Frederick, MD, USA and F. Oellien at Univ. Nuremberg. We thank Gary Mallard from NIST for providing us with additional compound names. |
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| Database generation and search functionality by
CACTVS universal chemistry information handling system
by W. D. Ihlenfeldt |
| Novartis JME Java structure editor by P. Ertl |
| Netgenics ChemSymphony Java 3D viewer applet by A. Krassavine. |
| Computed logP values and life links into property prediction
services by ACD Labs. More than 200,000 IUPAC names calculated by ACD/Name v. 4.0 |
| Drug-likeness prediction by M. Wagener at Organon |
| PASS drug activity/inactivity prediction by V. Poroikov |
| 3D conformer data set generated by MSI Catalyst modelling program |
| 3D base conformation data generated by Molecular Networks CORINA coordinate generator |
| Fully cross-indexed to LIQCRYST database by V. Vill |
 | Powered by an Apache webserver |