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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
 Latest updated on Nov. 2013. Contact Mr. Congying Xu for help.