Monthly Archives: 10 月 2014

1. Write down a chemical name

Atrazine
2. Find out experiment data in the database

http://lmmd.ecust.edu.cn:8000/search/?cas_rn=&common_name=Atrazine&iupac_name=&smiles=&action=A

3. Predict ADMET of the chemical

http://lmmd.ecust.edu.cn:8000/predict/?smiles=CCNc1nc%28NC%28C%29C%29nc%28n1%29Cl&action=A

4. Discuss the potential effects induced by a chemical

此化合物不算致癌物，但是它具有致癌的毒性，而且具有高的Tetrahymena Pyriformis Toxicity，除此之外他也不具有AMES毒性。

1) Write down the names of your interested chemical.

Atrazine

http://ctdbase.org/detail.go?type=chem&acc=D001280

2) Use CTD to identify
–a) Diseases

http://ctdbase.org/detail.go?type=chem&acc=D001280&view=disease

–b) Pathways

http://ctdbase.org/detail.go?type=chem&acc=D001280&view=pathway

–c) GO terms

http://ctdbase.org/detail.go?type=chem&acc=D001280&view=go

–d) Chemicals with comparable sets of interacting genes

http://ctdbase.org/detail.go;jsessionid=DC2E24E07FFEC3BAE361C81FE7ABBBB8?type=chem&acc=D001280&view=similarActor