Leming Shi's Favorite Links

Computational Chemistry

• Computational Chemistry List
• Prof. Eric Martz's Chime and Rasmol Resources (cool!)
• The Babel Home Page
• NIH Center For Molecular Modeling
• Compu-Dr. Home Page
• CCL -- Software Related Sites
• CCL Conferences List
• The QSAR AND MODELLING SOCIETY HOMEPAGE

• Tripos, Inc. (St. Louis, Missouri), products: SYBYL^® and associated modules (CoMFA, HQSAR, Biopolymer, RECEPTOR, Leapfrog, FlexiDock ...), UNITY 3D and Flex Searching System; Molecular Diversity Manager
• Molecular Simulations, Inc. (San Diego, California; now a subsidiary of Pharmacopeia), products: Cerius² Simulation environment for life and materials science; Insight II Simulation environment for life and materials science; Catalyst Modeling, hypothesis generation and structure search for drug discovery; QUANTA Advanced tools for macromolecular X-ray crystallographers; FELIX Processing, display and analysis of NMR data; WebLab Computational science on the WWW
• Chemical Computing Group, Inc. (Montreal, Quebec, Canada), products: QuaSAR-Binary, MOE-Align, MOE-Polymer...
• Hypercube, Inc. (Gainesville, Florida), products: HyperChem Release 5.1, HyperChem Lite, ChemPlus, HyperNMR...
• MULTICASE, Inc. (Cleveland, Ohio), products: artificial intelligence-based CASE (Computer Automated Structure Evaluation), MultiCASE (M-CASE), META, CASETOX and ToxAlert.
• MDL Information Systems, Inc. (San Leandro, California), products: ISIS (Integrated Scientific Information System), including ISIS/Host, ISIS/Base, ISIS/Draw, ISIS for Excel, ISIS SSKeys, and Tools for Application Development; Life Science Workbench, including Protocol Toolbox, Data Capture Toolbox, Data Analysis Toolbox, MDL SCREEN, and ISIS for Excel; Chemscape (internet and intranet delivery of chemical information), including Chime, Chime Pro, and Chemscape Server.
• Oxford Molecular Group (Campbell, California), products: RS3 Discovery, RS3 HTS, DIVA, AMBER, TOPKAT, Tsar, The GCG Wisconsin Package
• Daylight Chemical Information Systems, Inc. (Santa Fe, New Mexico), products: Thor, Merlin, SMILES, Clustering, Fingerprint
• Barnard Chemical Information Ltd., 2D Fingerprint, Clustering, Diversity Analysis
• CambridgeSoft Corporation (Cambridge, MA), products: ChemOffice, ChemDraw, Chem3D, ChemInfo, and ChemFinder.
• Chemical Design, Ltd.  (now part of Oxford Molecular), product: Chem-X
• Interactive Simulations, Inc. (San Diego, California): Sculpt visualization of complex and dynamic 3D molecular interactions; ChemBuilder3D
• ChemInnovation Software, Inc. (San Diego, California): Chemistry 4-D Draw, NamExpert, Nomenclator, PowerRef, ChemSite, Chemistry 4-D Draw for Java
• SciVision, Inc. (acquired by Academic Press)
• Semichem (Kansas City, MO): AMPAC, CODESSA
• Gaussian, Inc. (Carnegie, PA): Gaussian 98, Gaussian 98W, Linda for parallel execution environment
• Wavefunction, Inc. (Irvine, California): SPARTAN
• Princeton Simulations (New Brunswick, New Jersey): Conformer for conformation search
• CompuChem Software
• ChemSW, Inc. (Fairfield, California): ChemOffice 98, CISTMPro
• Advanced Chemistry Development, Inc. (ACD Labs) (Toronto, Ontario, Canada), products: calculation of various types of molecular properties, e.g. IR, NMR, MS, LogP; structure drawing and naming.

• Computer Chemistry Center, Institute of Organic Chemistry, University of Erlangen-Nuremberg
• University of North Carolina QSAR Server

Comprehensive list of Chemistry journals (>500) at ChemConnect: Chemicals and chemical suppliers, traders, and Chemical Trading Exchanges
Journal of Chemical Information and Computer Sciences Home Page
NIU Chemistry Home Page

Periodic Table: Webelements
American Chemical Society - Home Page
ChemCenter – Chemistry, education, job and meeting information resource, by the American Chemical Society
ChemWeb, Inc.
ChemSoc by the Royal Society of Chemistry,
American Association for the Advancement of Science
BioMedNet

Combinatorial Chemistry and Molecular Diversity

• Diversity Information Pages (very comprehensive and useful information)
• Archive of Molecular Diversity maintained by the University of Arizona.
• Combinatorial Chemistry and Mass Screening Yellow Pages
• Focus on Combinatorial Chemistry: articles published in the Tetrahedron journals are located
• Unofficial Combinatorial Chemistry Web Site
• Journals: Molecular Diversity (); Combinatorial Chemistry & High Throughput Screening (Bentham Science Publisher); Combinatorial Chemistry (Wiley)

• USC Computational Biology (Prof. Michael S. Waterman)
• European Bioinformatics Institute  (EBI)
• The Swiss Institute of Bioinformatics
• Weizmann Institute Genome and Bioinformatics
• Net-ID, Inc.: Bioinformatics and Data Mining: based on technology described in the book Bioinformatics: the Machine Learning Approach, co-authored by one of Net-ID's founders and recently published  by MIT Press.
• Bioplanet Bioinformatics Home Page
• BioInform Bioinformatics News Service

• North American Chapter of the International Chemometrics Society
• Belgian Chemometrics Society's Homepage
• Russian Chemometrics Society (RCS)
• Johan Trygg's Homepage of Chemometrics
• Dr. Rasmus Bro's comprehensive "Chemometrics from A to Z"
• Research Group for Chemometrics, Umeå University, Sweden
• CPAC Center for Process Analytical Chemistry in Seattle, USA
• ICS-L International Chemometrics Society listserver
• Elsevier Journal: Chemometrics and Intelligent Laboratory Systems
• Eigenvector Research Inc. PLS-Toolbox software, Barry Wise, Washington, USA
• CAMO ASA Produces chemometrics software and offers consulting.
• The Analytical Chemistry Springboard - Chemometrics and Related Areas at Umea University, Sweden

• Enhanced NCI Database Browser
• Protein Data Bank (PDB) at Brookhaven National Laboratory. From 1999 the PDB is going to be maintained at  The Research Collaboratory for Structural Bioinformatics  (RCSB) formed by Molecular Biophysics and Biophysical  Chemistry at Rutgers, the State University of New Jersey,  The San Diego Supercomputer Center (SDSC), and The Biotechnology Division of the Chemical Sciences and Technology Laboratory (CSTL) at the National Institute of Standards and Technology (NIST).
• The Cambridge Structural Database (CSD) at Cambridge Crystallographic Data Centre: contains crystal structure information for over 180,000 organic and metal organic compounds. All of these crystal structures have been analysed using X-ray or neutron diffraction techniques.
• ChemWeb, Inc.,  features searchable chemistry journals and databases, jobs, chemical books, software and products, details of conferences
• ChemFinder Searching: chemical structure searching
• LogP Compilation (Reliable, evaluated LogP values of 11,502 compounds) at the Environmental Science Center of Syracuse Research Corporation. Needs CAS# as input query.
• SIS, NLM Chemical Structure Searching Server
• Chime Resources at UMass
• Developmental Therapeutics Program, DCTDC, NCI
• NCI Chemical Carcinogen Reference Standard Repository
• US EPA, Office of Prevention, Pesticides and Toxic Substances Chemical Testing & Information- TSCA Inventory Chart
• Pharmaceutical and Chemical Information System
• Chemical Testing & Information Gathering: US EPA, Office of Prevention, Pesticides and Toxic Substances
• Toxic Substances Control Act Inventory
• S110 List ATSDR Priority List
• TSCA (Toxic Substances Control Act) Chemical Inventory Database
• National Technical Information Service (NTIS)
• us epa, office of prevention and toxic substances endocrine disruptors
• /usr/catman/local/cat1/RNAfold(1)
• The Carcinogenic Potency Project (CPDB)
• National Toxicology Program (NTP) Home Page
• CGAP Home Page
• Proteome, Inc.

Pharmaceutical Information Network (PharmInfoNet): a lot of information for patients and about pharmaceuticals
Cold Spring Harbor Laboratory
GENSET - glossary of genomics

Statistics

• SAS Institute Home Page
• MathSoft.com / S-PLUS
• JMP Discovery Software
• Forrest W. Young (multidimensional scaling)
• Classification Society of North America
• Washington U Stat TECHNICAL REPORTS
• Algorithm Archive (Work in progress)
• Fil's FAQ-Link-In Corner: CRC algorithms

• National Institute of Environmental Health Sciences (NIEHS/NIH)
• National Center for Toxicological Research (NCTR/FDA)
• U.S. National Toxicology Program
• The Society of Toxicology (SOT)
• Eurotox: Association of European Toxicologists and European Societies of Toxicology
• Cambridge Scientific Abstracts, (Environmental RouteNet)
• INVITTOX: Data Bank of In Vitro Techniques in Toxicology
• Altweb: Alternatives to animal testing on the Web at Johns Hopkins University
• EXTOXNET: The EXtension TOXicology NETwork, provides a variety of information about pesticides.
• Predictive Toxicology Evaluation Challenge (Oxford University)
• The Carcinogenic Potency Project (CPDB) at UC Berkeley, maintained by Dr. Lois Swirsky Gold
• EPA's Endocrine Distruptor Screening and Testing Advisory Committee (EDSTAC)
• Endocrine Disruptor homepage at Japan's National Institute of Health Sciences
• European Endocrine Disruptors Research Inventory (German Federal Environmental Agency)
• Substances from Our Stolen Future and Others
• Illinois EPA Endocrine-Disrupting Chemicals Table
• Endocrine/Estrogen Letter ($515/yr by e-mail, fax or mail; $575/yr outside North America)
• The Laboratory of Computational Biology and Risk Assessment at the NIEHS

• Yahoo! - Top Stories Summary
• Welcome to washingtonpost.com
• ScienceNOW

USA Visa Bulletin
INS Home Page
Immigration.com Chat Board
USA Immigration Center
USA Immigration FAQ
 

Chinese (ÖÐÎÄ)

• GLOBAL CHINATOWN
• China News Digest (CND)
• Sunrise Chinese Library Ì«ÑôÉýÖÐÎÄͼÊé¹Ý