百度
Google
推荐导航
文献检索
出版集团
数据库
- PubChem
- ChEMBL
- DrugBank
- ChemSpider
- Comprehensive Medicinal Chemistry (CMC)
- Accelrys Metabolite
- Accelrys Toxicity
- Integrated Third Party Databases (from ChemADVISOR)
- SFDA数据查询
- The antimicrobial peptide database
- SuperNature Database V2
- Biological Magnetic Resonance Data Bank
- Enhanced NCI Database Browser 2.2
- Computational Chemistry Comparison and Benchmark DataBase (CCCBDB)
- Precomputed vibrational scaling factors
- Chemical Lists Information System (CheLIST)
- ChemIDplus
- 精细化学品数据库
- 化学品与食品安全信息
- logP数据库
- 农用化学品数据库
- pKa数据库
- 质谱数据库
- 中国新药研发监测数据库
- Chemspider SyntheticPages
- WWW-MINCRYST
- Drugable
- Physical Hazard Database of chemicals
- Gene Ontology Consortium
- GPM Proteomics Database
- SIRI MSDS Index
- Inorganic Crystal Structure Database (ICSD)
- 粉晶衍射在线数据库
- LB Substance/Property Index
- Materials Properties Locator Database
- MetaCyc Metabolic Pathway Database
- Nucleic acid database (NDB)
- NMRShiftDB2
- NCI Pathway Interaction Database
- Universal Natural Products Database
- Relibase
- Relibase+
- RRUFF
- PSI-Nature Structural Biology Knowledgebase
- Structural Classification of Proteins (SCOP)
- Spectral Database for Organic Compounds, SDBS
- Chemical & Drug Information
- Solv-DB
- World Drug Index
- The Incidence & Prevalence Database
- BIOSIS Citation Index
- Current Chemical Reactions
- TOXNET
- Network Database System for Thermophysical Property Data
- NIST Chemistry WebBook
- WebCSD
- The IUPAC Stability Constants Database
- Durgs@FDA
- Connectivity Map (CMap)
- China Chemical Reporter
- Acute Toxicity Database
- 化合物参考数据库
- the Organic Compounds Database
- Crystallography Open Database (COD)
- 无机物、矿物晶胞参数在线数据库
- 药物在线
- 化学物质索引数据库
- 化学物质毒性数据库
- ChEBI
- Protein Data Bank in Europe (PDBe)
- Enzyme Structures Database
- EMDataBank
- Integrated Risk Information System (IRIS)
- Drug Approvals and Databases
- DBGET Search
- KEGG
- HMDB
- ICDD PDF database
- ICIS
- LaSurface Database
- ThermoDex
- MassBank
- MDPI Open Access Publishing
- Medical Device Daily
- Merck Manual (Consumer version)
- Merck Manual (Professional version)
- MEI Online
- Chemical Information System
- Physical Reference Data
- MedlinePlus
- Organic Reactions
- PDBbind-CN Database
- ProQuest Dialog
- RCSB Protein Data Bank (PDB)
- RxList
- Speciality Chemicals
- SwissBioisostere
- SwissSidechain
- UniProt
- WFCC-MIRCEN
- WebReaction
- Virtual Textbook of Organic Chemistry
- ZINC
- Integrity
- Thomson Pharma
- Science of synthesis
- Merck Index
- 微谱数据
- FluoBase
学术工具
科研软件
- MDDR
- DynDom
- WebMO
- Abalone
- Accelrys Biological Registration System
- Accelrys Cheshire
- Accelrys Draw
- Accelrys Experiment Knowledge Base (EKB)
- Accelrys LIMS
- ACD/ChemSketch
- ACD/Labs Percepta Platform
- ACD/Name
- ACD/Spectrus Platform
- ADF molecular modeling suite
- ADMET Predictor
- AFITT
- AMBER
- Ascalaph
- AutoDock
- AutoPilot Tookit for Phoenix
- Avogadro
- BATE
- Benchware 3D Explorer
- Bingo Chemistry Cartridge
- Bio-Loom
- BioLuminate
- Biomolecule Toolkit
- BOSS （Biochemical and Organic Simulation）
- Buffer Maker
- CACTVS
- CAESA
- Canvas
- Cardiac Safety Simulator
- CASC
- CBIS
- CHARMM (Chemistry at HARvard Macromolecular Mechanics)
- ChemAxon Tools for Workflow, Visualization and Analysis
- ChemBio
- ChemBioOffice
- ChemCAD
- ChemCurator
- Chemistry 4-D Draw
- Chemistry Development Kit (CDK)
- ChemSep
- ChemSite Pro
- ChemWindow
- CheVi
- Chimera
- CLiDE
- CODESSA PRO
- CombiGlide
- Compliance Checker
- Compound Registration
- ConfGen
- CORA
- Core hopping
- CORINA
- CovDock
- CrystalMaker
- CULGI（The Chemistry Unified Language Interface）
- D360
- DASYLab
- DataWarrior
- Desmond
- Discoverant
- Discovery Studio
- DOCK
- Document to Structure
- Dragon
- EBAS
- eHiTS (Electronic High Throughput Screening)
- Electronic Laboratory Notebook (ELN)
- Endeavour
- EndNote
- E-Notebook
- e-Pharmacophores
- Epik
- EROS
- Field-based QSAR
- Firefly
- GAMESS
- GastroPlus
- Gaussian 09
- GaussView 5
- Glide
- gNMR
- Gold Suite
- GRAMS/AI
- GraphPad Prism
- GROMACS
- GROMOS (Groningen Molecular Simulation)
- GULP
- GUSAR
- HyperChem
- HyperProtein
- InChI
- Indigo
- Induced Fit
- Informatics for Biology
- Insight
- Insight for Excel
- Instant JChem
- Isentris
- Isentris for Excel
- ISIS Base
- ISIS Draw
- Jaguar
- JChem Base
- JChem Cartridge
- JChem for Office
- JChem Web Services
- JKlustor
- JSDraw
- Ketcher
- Kinetica
- KNIME Extensions
- KnowItAll spectroscopy software
- LAMMPS（Large-scale Atomic/Molecular Massively Parallel Simulator）
- LigandScout
- LigPrep
- LiveDesign
- MacroModel
- Maestro
- Maestro Elements
- Markush Editor，Markush Search and Enumeration
- Marvin JS
- Marvin Live
- MarvinSketch
- MarvinSpace
- MarvinView
- Mass Spec Calculator Pro (MSC)
- Materials Studio
- Mathcad Prime
- MathType
- Matlab
- Mbook
- MCPRO
- MDynaMix
- MedChem Suite
- MedeA
- Metabolizer
- Mnova
- MOE (Molecular Operating Environment)
- MolCode ToolBox
- MolConverter
- Molecular Modeling Pro Plus
- Molpro
- MOPAC（Molecular Orbital PACkage）
- MOSES
- Muse Invent
- NAMD
- Naming
- NUTS
- NWChem
- Openbabel
- OpenEye toolkits
- OpenEye portfolio of molecular modeling applications
- OPSIN (Open Parser for Systematic IUPAC nomenclature)
- ORCA
- Origin
- PASS
- PCModel
- PETRA
- Phase
- Phoenix Connect
- Phoenix Knowledgebase Server
- Phoenix NLME
- Phoenix QT+
- Phoenix WinNonlin
- Pipeline Pilot
- PIPER
- Plexus Suite
- PowerRef
- PreADMET
- Prime
- PrimeX
- Process Management and Compliance Suite
- Protein preparation wizard
- PSILO
- PyMOL
- QikProp
- QM-polarized ligand docking
- QSite
- RasMol / OpenRasMol
- Reactor
- Reference Manager
- SARvision | Biologics
- SARvision | SM
- SCIGRESS
- Scilligence ELN
- Scilligence Inventory
- Screen Suite
- SDSpro
- Sequence 4-D
- Seurat
- Shape Screening
- SigmPlot
- Simcyp Paediatric
- Simcyp Simulator
- SIMION
- Simplex Pro
- SiteMap
- Sparky
- Spartan
- Spotfire
- SPROUT
- SPSS
- Standardizer
- Surflex
- SYBYL-X
- TCP Linda
- TeraChem
- TINKER
- TouchMol
- Trial Simulator
- Tripos Chemistry Extensions for KNIME
- VASP (the Vienna Ab initio Simulation Package)
- VMD
- WaterMap
- WODCA
科研新闻
在线计算
- ChemCalc
- BLAST
- ExPASy
- FASTA
- X-LOGP3
- X-LOGS
- X-SCORE
- I-Interpret
- Synthesis explorer
- 3D Jigsaw
- 3D Structure Prediction Tools
- ACTIVE SITE PREDICTION
- ALOGPS
- AquaSol
- Associative Neural Network (ASNN)
- AsteriX
- Automated topology builder and repository
- BAPPL server
- BAPPL–Z server
- Basis set exchange
- bilbao crystallographic server
- BindN
- BioPath.Explore
- Calculation of Molecular Properties and Bioactivity Score
- Calculations
- Calculator
- CBS Prediction Servers
- CHARMM INterface and Graphics (CHARMMing)
- ChemDB Portal
- Chemical Engineering Now
- Chemical Identifier Resolver
- Chemical Reaction Calculator
- Chemical substructure and similarity search using MolCart
- chemicalize.org
- ChemicalSearch-UCI
- Compute pI/Mw tool
- COSMOS 3D Structure Predictor
- Dali server
- Database of Macromolecular Movements
- Diamond Online
- DIXEL
- DNA ligand docking
- DNA Sequence to Structure
- DNASIZE
- DOCK Blaster
- DOCK/PIERR
- Docking Server
- DockStar
- Drug-Likeness and molecular property prediction
- DrugPort
- E-BABEL
- E-Dragon
- EMBL-EBI Web Services
- Fast 3D Structure Generation with CORINA
- FireDock
- FPOCKET WEB SERVER
- Free online calculator for engineers
- Fundamental Physical Constants
- gCP-D3 Webservice
- GETAREA
- GMPDB
- Graphite Online
- H++
- I-Mutant
- Interactive 2D to 3D Molecular Converter and Viewer
- Interactive PDB Fast Viewer
- Isotope Distribution Calculator and Mass Spec Plotter
- JVirGel
- Karlsberg+
- LOOPP
- Mobyle@RPBS
- Molecular Structure Generation
- Molecular Volume Calculator
- MolecularFormatConverter
- MolInfo
- MolProbity
- MOSES.Descriptors Community Edition
- MultiFit Webserver
- NetSurfP
- ODA-Molsoft
- Online Analysis Tools-Dr. Kropinski
- Online Balancer
- Online Calculator
- OPSIN
- Organic Synthesis Search
- OSIRIS Property Explorer
- ParaDock
- Parameter Client
- ParDOCK
- Partial Least Squares Regression (PLSR)
- PatchDock
- PBT Profiler
- PDBe services
- PDBsum
- PepCrawler
- PharmMapper
- Polymerizer
- Polynomial Neural Network (PNN)
- POLYVIEW-2D
- POLYVIEW-3D
- POLYVIEW-MM
- PreDDICTA
- ProFunc
- PROSECSC
- Protein calculator
- PROTEIN STRUCTURE OPTIMIZER
- Protein-Ligand Atractions Investigation Numerically (PLATINUM)
- ProteinProspector
- ProtParam tool
- PROWL
- ReactionPredictor Webserver
- ResProx
- Robetta
- Rotational Constant Calculator
- RS-WebPredictor
- salilab
- Scratch protein predictor
- Servers-Dr. Martin
- Servers-UHH
- Services-UCLA-DOE Institute
- SIS Online Chromatogram and Mass Spectrum Viewer
- SPINUS
- SPPIDER
- StrucTools
- SuperParamagnetic Clustering
- SwissDock
- SwissParam
- SwissTargetPrediction
- SymmDock
- TarFisDock
- TeleSpec IR Simulator
- Temperature generator for REMD-simulations
- The Zhang Lab On-line Service System
- ToxPredict
- TPACM4
- TubeGen Online
- UCSC Human Genome Browser Gateway
- Unit Converters
- Unsupervised Forward Selection (UFS)
- VADAR
- ViewMotions Server
- Virtual Computational Chemistry Laboratory (VCCLAB)
- Web 3DNA-Dr. Olson
- webPIPSA
- WHAT IF
- Wiener Index Calculator
- Xemistry Web Sketcher
京公网安备 11010802027423号