QSAR/Clustering

Brian T. Luke, Ph.D.

   

Web Sites

StatCodes -- Multivariate classification

Cal/EPA Database

Information Center for the Environment (ICE), University of California, Davis (UCD)

ChI & QSAR: Datasets

MolData, chemical data on the Web

Index of /pub/mlearn

HIV Molecular Immunology

The Carcinogenic Potency Project (CPDB)

The Predictive Toxicology Challenge 2000-2001

TOXNET

Chemistry Resources

Rolf Claessen's Chemistry Index

Molecular Visualization Tools

Mutagenicity data description:

Stanford HIV Drug Resistance Database

HIV Drug Information Database

Drugs for Diabetes Database

The P-I-E-N-O Parkinsn's List Drug Database Index

The National Cancer Institute 3D structure database

A to Z Index of Structures

Cambridge Crystallographic Data Centre

Structural Informatics - Beyond simply modeling