• In-house modeling tool:

Chemical Structure Curator (credit goes to Dr. Sedykh).

 

  • External resources:

Databases:

PubChem

ZINC

The binding database

IRIS

COSMOS

DrugMatrix

Cmap

DSSTox

Modeling Tools:

Online SMILE translator

Openbabel (structure file translator)

Virtual Computational Chemistry Laboratory (AlogP, Solubility and etc.)

SMARTCyp

Chemotyper

Metaprint2D

Reference tools:

PubMed

Web of Science

NCBI

AOP-wiki

Google trend

 

  • Communities

OLCC

CSAR

ASCCT

OECD

NIH-BD2K

JHU-CAAT

Rutgers-CEED

Norecopa