| 在线计算服务简介 |
| 服务名称 |
服务简介 |
开发单位
|
| ADMETUS |
ADMETUS provides an access to evaluate ADME/T properties of compound by building relatively accurate predictive models, which may help reduce late-stage attrition and distinguish most promising compounds. |
中国科学院上海药物研究所
|
| CAVITY |
Structure-based Binding Site Detection and Druggability Prediction of Protein Targets. |
北京大学
|
| ChemMapper |
ChemMapper is a free web server for computational drug discovery based on the concept that compounds sharing high 3D similarities may have relatively similar target association profile. |
华东理工大学
|
| iDrug |
The iDrug is intended to help you perform protein binding sites detection, pharmacophore searching, potential target candidates identification and 3D similarity calculation. |
华东理工大学 / 北京大学
|
| I-interpret |
I-interpret is an efficient "interpreter" of chemical structures, which can automatically interpret the chemical structure of a given organic molecule merely from its essential structural information, including element identities and three-dimensional coordinates of its component atoms. |
中国科学院上海有机化学研究所
|
| Pam |
predicting amyloid fibril-forming segments based on the microcrystal structure NNQQNY and the statistical residue-based potential KBP(Knowledge-based potential). |
北京大学
|
| PDBbind |
The aim of the PDBbind database is to provide a comprehensive collection of the experimentally measured binding affinity data for all types of biomolecular complexes deposited in the Protein Data Bank (PDB). |
中国科学院上海有机化学研究所
|
| PharmMapper |
PharmMapper Server: an updated integrated pharmacophore matching platform with statistial method for potential target identification. |
华东理工大学
|
| POCKET |
Automated Receptor-Based Pharmacophore Modeling |
北京大学
|
| PTID |
PTID is a web-based database providing association information of pesticides and corresponding potential targets from text mining. |
华东理工大学
|
| SCORE |
Emprically estimating the binding affinity of receptor-small molecule ligands |
北京大学
|
| SOMEViz |
SOMEViz (Site of Metabolism Estimator Visualization) is an open-accessed web server for rapidly exploring potential SOM (Sites of Metabolism) of small molecules. It provides prediction of human cytochromes p450 (CYP450)-mediated biotransformations for the six most important metabolic reactions. |
华东理工大学
|
| XLOGP |
Fast calculation of the logarithm of the partition coefficient between n-octanol and water, which has been widely used in quantitative structure-activity relationship (QSAR) studies as a key parameter for characterizing lipophilicity. |
北京大学 / 中国科学院上海有机化学研究所
|
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Latest updated on Nov. 2013. Contact Mr. Congying Xu for help.
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