Home > Resources > Drug Discovery Tools

Drug Discovery Tools

Drug Design
GAMESS
Analyzing accurate electron density distribution and interaction energy
  MOE
Integrating molecular modeling and drug design
Derek
Predicting toxicity of novel compound
  Meteor
Predicting metabolism fate of compound
Small Molecules Databases
DrugBank
Combining detailed drug data with comprehensive drug target
  Traditional Chinese Medicine Database
Providing new information on traditional Chinese medicine researches
Protein Target Databases
Protein Data Bank
Repositing 3D structures of large biological molecules
  Universal Protein Resource
Offering protein sequences and functional data
Pathway Databases
KEGG
Collecting genomes, enzymatic path-ways and biological chemicals data
  NCI-Nature Pathway Interaction Database
Containing information about molecular interactions and reactions in cellsa
Pharmacology Associated Databases
ChEMBL
Computing data mining, contrasting and standardizing publications
  Therapeutic Target Database
Providing all information about known and explored therapeutic protein and nucleic acid targets
PharmGKB
Curating impact of genetic variation on drug response
  PDTD
Focusing on drug targets with known 3D-structures
SIDER
Collecting data on marketed drugs and their recorded adverse reactions