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免費的論文數據庫,大名鼎鼎的...
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綜合查詢
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生物技術信息
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蓋德化工網化工字典收錄了數千...
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alpha化學英文詞典
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alpha生物英文字典
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維基百科
SCI影響因子列表
SCI影響因子列表
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影響因子查詢
PubChem
提供有機小分子生物活性數據庫
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提供查詢靶點或化合物的生物活...
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以化學結構式為基礎的化學信息...
ChemIDplus
化合物別名、結構式字典庫
精細化學品數據庫
精細化學品數據庫
專業數據庫
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化學合成路徑搜索
Organic Syntheses
有機物合成方法
化學風險信息平臺(CHRIP)
化學風險信息平臺(CHRIP)
ChemExper
化學品信息查詢
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蛋白質結構設計數據庫
WFCC-MIRCEN
世界微生物數據中心
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篩選化合物庫
Integrity
藥物查詢與開發
Science of synthesis
有機化學合成方法全文數據庫
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化學品藥品及生物制品信息庫
微譜數據
微譜數據
CADD Group Chemoinformatics Tools and User Services
化學信息學工具和用戶服務
MSDS Search
化學品安全數據庫
化學空間
化合物性質的相似性推測
DrugBank
藥品與綜合藥物靶點信息結合數...
Comprehensive Medicinal Chemistry (CMC)
綜合藥物化學數據庫
Accelrys Metabolite
藥物代謝物活性數據庫
Accelrys Toxicity
藥物代謝物毒性分析數據庫
Integrated Third Party Databases (from ChemADVISOR)
集成第三方，準確建模數據庫
SFDA數據查詢
國家食品藥品監督管理
SuperNature Database V2
自然產品數據庫
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生物核磁共振數據庫
Enhanced NCI Database Browser 2.2
物質結構建模數據庫
Precomputed vibrational scaling factors
預計振動縮放因素計算數據庫
化學品與食品安全信息
化學品與食品安全信息檢索
logP數據庫
有機化合物疏水常數數據庫
農用化學品數據庫
農用化學品生物信息平臺
pKa數據庫
有機化合物解離常數數據庫
質譜數據庫
常見化合物的質譜譜圖
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中國新藥研發監測數據庫
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在線分子庫信息整合設計
WWW-MINCRYST
礦物及其結構類似物的晶體結構...
Physical Hazard Database of chemicals
化學品物理危害數據庫
Gene Ontology Consortium
基因本體論語言詞匯數據庫
GPM Proteomics Database
利用GPM數據信息來分析蛋白...
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化學品安全指數數據庫
粉晶衍射在線數據庫
晶體衍射數據庫
LB Substance/Property Index
收集物理化學及技術中的數值數...
MetaCyc Metabolic Pathway Database
多生物體代謝途徑數據庫
NMRShiftDB2
有機物核磁位移數據及譜圖庫
Universal Natural Products Database
天然產物性質數據庫
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蛋白質配體相互作用的綜合分析...
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物質的光譜及無機性質數據庫
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自然結構生物學知識庫
Structural Classification of Proteins (SCOP)
蛋白質的結構分類數據庫
Chemical & Drug Information
化學及藥學性質
Solv-DB
溶劑物化性質數據庫
World Drug Index
藥用化學物數據庫
The Incidence & Prevalence Database
發病率和患病率數據庫
TOXNET
TOXNET
NIST Chemistry WebBook
化學品物化性質數據庫
WebCSD
化學物結構查詢
Durgs@FDA
Durgs@FDA
Connectivity Map (CMap)
Connectivity Map (CMap)
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China Chemical Reporter
Acute Toxicity Database
Acute Toxicity Database
化合物參考數據庫
化合物參考數據庫
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the Organic Compounds Database
Crystallography Open Database (COD)
Crystallography Open Database (COD)
藥物在線
藥物在線
化學物質索引數據庫
化學物質索引數據庫
化學物質毒性數據庫
活性物質毒理學方面的資料
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ChEBI
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Protein Data Bank in Europe (PDBe)
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Enzyme Structures Database
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EMDataBank
Integrated Risk Information System (IRIS)
Integrated Risk Information System (IRIS)
Drug Approvals and Databases
Drug Approvals and Databases
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DBGET Search
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KEGG
HMDB
HMDB
ICDD PDF database
ICDD PDF database
ICIS
ICIS
LaSurface Database
LaSurface Database
ThermoDex
ThermoDex
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MassBank
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MDPI Open Access Publishing
Medical Device Daily
Medical Device Daily
Merck Manual (Consumer version)
Merck Manual (Consumer version)
Merck Manual (Professional version)
Merck Manual (Professional version)
MEI Online
MEI Online
Physical Reference Data
Physical Reference Data
MedlinePlus
MedlinePlus
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Organic Reactions
PDBbind-CN Database
PDBbind-CN Database
ProQuest Dialog
ProQuest Dialog
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RCSB Protein Data Bank (PDB)
RxList
RxList
Speciality Chemicals
Speciality Chemicals
SwissBioisostere
SwissBioisostere
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SwissSidechain
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UniProt
WFCC-MIRCEN
WFCC-MIRCEN
Virtual Textbook of Organic Chemistry
Virtual Textbook of Organic Chemistry
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ZINC
Integrity
Integrity
Thomson Pharma
Thomson Pharma
Science of synthesis
Science of synthesis
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Merck Index
微譜數據
天然產物核磁共振碳譜數據庫
專利查詢
國家石油和化工專利網
國家石油和化工專利網
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FDA藥品專利信息
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European Patent Office (EPO)
國知局專利審查信息查詢
國知局專利審查信息查詢
國知局專利檢索
國知局專利檢索
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USPTO專利全文數據庫
在線計算
ChemCalc
用于簡單的化學元素查詢及分子...
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計算輸入序列等電點和分子量的...
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基于文本用于表示核酸序列或多...
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基于數據庫預測合成方法
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物質特性水溶解度預測
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預算對分子對接后的受體－配體...
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有機分子建模研究中處理化學結構
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有機合成設計與機理預測的化學...
3D Structure Prediction Tools
有機物3D結構預測工具
ACTIVE SITE PREDICTION
活性中心預測
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物質水溶解度的預測
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聯想神經網絡模擬結果
Automated topology builder and repository
自動化拓撲生成器和存儲庫
BAPPL server
計算非金屬蛋白配體復合體的束...
BAPPL–Z server
BAPPL–Z server
Basis set exchange
量子化學EMSL基組勢能等計算
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提供晶體點群和空間群信息
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實時計算各種與藥物有關的特性
Calculator
Calculator
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蛋白跨膜結構域預測程序
CHARMM INterface and Graphics (CHARMMing)
CHARMM INterface and Graphics (CHARMMing)
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化學深層網檢索引擎
Chemical Engineering Now
化工在線計算
Chemical Reaction Calculator
化學反應在線計算
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化學品搜索庫
COSMOS 3D Structure Predictor
高斯3D結構預測工具
Database of Macromolecular Movements
大分子生長數據庫
Diamond Online
在線生成晶體結構
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DNA表面化學特征信息
DNA ligand docking
DNA配體對接信息分析
DNA Sequence to Structure
DNA序列結構信息分析
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DNA分子量大小測定
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DNA對接的可行性判斷
DOCK/PIERR
蛋白質配對查詢
Docking Server
處理配體與蛋白質分子對接問題...
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DockStar
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分子特性和生物活性分數的計算
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DrugPort
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蛋白與配體原子接觸的計算
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計算拓撲指數和連接性指數
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數據資源分析
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分子對接相互作用
FPOCKET WEB SERVER
蛋白腔檢測方法
Free online calculator for engineers
工程師在線計算器
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gCP-D3 Webservice
GETAREA
GETAREA
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蛋白質組群數據分析
Graphite Online
石墨結構晶體信息
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H++
I-Mutant
I-Mutant
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Interactive 2D to 3D Molecular Converter and Viewer
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Interactive PDB Fast Viewer
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Isotope Distribution Calculator and Mass Spec Plotter
JVirGel
JVirGel
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Karlsberg+
LOOPP
LOOPP
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生物信息分析
Molecular Structure Generation
分子式相對應的結構式搜索及拓展
Molecular Volume Calculator
生物信息學及計算生物學
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MolecularFormatConverter
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MolInfo
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分析物質結構
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MultiFit Webserver
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NetSurfP
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ODA-Molsoft
Online Analysis Tools-Dr. Kropinski
Online Analysis Tools-Dr. Kropinski
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Online Balancer
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Organic Synthesis Search
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OSIRIS Property Explorer
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ParaDock
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Parameter Client
ParDOCK
ParDOCK
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Partial Least Squares Regression (PLSR)
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PatchDock
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PDBe services
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PDBsum
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PepCrawler
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Polymerizer
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Polynomial Neural Network (PNN)
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POLYVIEW-2D
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POLYVIEW-3D
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POLYVIEW-MM
PreDDICTA
PreDDICTA
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ProFunc
PROSECSC
PROSECSC
Protein calculator
Protein calculator
PROTEIN STRUCTURE OPTIMIZER
PROTEIN STRUCTURE OPTIMIZER
Protein-Ligand Atractions Investigation Numerically (PLATINUM)
Protein-Ligand Atractions Investigation Numerically (PLATINUM)
ProteinProspector
ProteinProspector
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PROWL
ReactionPredictor Webserver
ReactionPredictor Webserver
ResProx
ResProx
Robetta
Robetta
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Rotational Constant Calculator
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RS-WebPredictor
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salilab
Scratch protein predictor
Scratch protein predictor
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Servers-Dr. Martin
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Servers-UHH
Services-UCLA-DOE Institute
Services-UCLA-DOE Institute
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SIS Online Chromatogram and Mass Spectrum Viewer
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SPINUS
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SPPIDER
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SuperParamagnetic Clustering
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SwissDock
SwissParam
SwissParam
SwissTargetPrediction
SwissTargetPrediction
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SymmDock
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TeleSpec IR Simulator
Temperature generator for REMD-simulations
Temperature generator for REMD-simulations
The Zhang Lab On-line Service System
The Zhang Lab On-line Service System
TPACM4
TPACM4
TubeGen Online
TubeGen Online
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UCSC Human Genome Browser Gateway
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Unsupervised Forward Selection (UFS)
ViewMotions Server
ViewMotions Server
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Virtual Computational Chemistry Laboratory (VCCLAB)
Web 3DNA-Dr. Olson
Web 3DNA-Dr. Olson
webPIPSA
webPIPSA
WHAT IF
WHAT IF
Wiener Index Calculator
Wiener Index Calculator
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繪制平面結構的工具
科研軟件
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閱讀最新文獻的神器
MDDR
分子動態模擬軟件
DynDom
多體動力學仿真軟件
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化學生物結構繪圖建模
WebMO
網頁量子計算軟件
Chemistry 4-D Draw
化學結構式繪圖
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Abalone
Accelrys Cheshire
Accelrys Cheshire
Accelrys Draw
Accelrys Draw
Accelrys Experiment Knowledge Base (EKB)
Accelrys Experiment Knowledge Base (EKB)
Accelrys LIMS
Accelrys LIMS
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ACD/ChemSketch
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ACD/Labs Percepta Platform
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ACD/Name
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ACD/Spectrus Platform
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ADF molecular modeling suite
AFITT
AFITT
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AMBER
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Ascalaph
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AutoDock
AutoPilot Tookit for Phoenix
AutoPilot Tookit for Phoenix
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BATE
Bio-Loom
Bio-Loom
BioLuminate
BioLuminate
BOSS （Biochemical and Organic Simulation）
BOSS （Biochemical and Organic Simulation）
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Buffer Maker
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CACTVS
CAESA
CAESA
Cardiac Safety Simulator
Cardiac Safety Simulator
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CASC
CBIS
CBIS
ChemAxon Tools for Workflow, Visualization and Analysis
ChemAxon Tools for Workflow, Visualization and Analysis
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ChemCAD
ChemSite Pro
ChemSite Pro
ChemWindow
ChemWindow
CheVi
CheVi
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Chimera
CLiDE
CLiDE
CODESSA PRO
CODESSA PRO
CombiGlide
CombiGlide
Compliance Checker
Compliance Checker
Compound Registration
Compound Registration
ConfGen
ConfGen
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CORA
Core hopping
Core hopping
CovDock
CovDock
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CrystalMaker
CULGI（The Chemistry Unified Language Interface）
CULGI（The Chemistry Unified Language Interface）
D360
D360
DASYLab
DASYLab
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DataWarrior
Desmond
Desmond
Discoverant
Discoverant
Discovery Studio
Discovery Studio
DOCK
DOCK
Document to Structure
Document to Structure
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Dragon
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EBAS
Electronic Laboratory Notebook (ELN)
Electronic Laboratory Notebook (ELN)
EndNote
專業的文獻整理綜合
e-Pharmacophores
e-Pharmacophores
Epik
Epik
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EROS
Field-based QSAR
Field-based QSAR
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Firefly
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追蹤反應路徑的量子化學
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執行計算模塊量子化學
Glide
Glide
GRAMS/AI
GRAMS/AI
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GraphPad Prism
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GROMACS
GROMOS (Groningen Molecular Simulation)
GROMOS (Groningen Molecular Simulation)
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GULP
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GUSAR
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HyperChem
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InChI
Informatics for Biology
Informatics for Biology
Insight
Insight
Insight for Excel
Insight for Excel
Instant JChem
Instant JChem
ISIS Base
ISIS Base
Jaguar
Jaguar
JChem Base
JChem Base
JChem Cartridge
JChem Cartridge
JChem for Office
JChem for Office
JChem Web Services
JChem Web Services
JKlustor
JKlustor
JSDraw
JSDraw
Ketcher
Ketcher
Kinetica
藥物代謝和藥物投放高效數據分析
KNIME Extensions
KNIME Extensions
KnowItAll spectroscopy software
KnowItAll spectroscopy software
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LigandScout
LigPrep
LigPrep
LiveDesign
LiveDesign
MacroModel
MacroModel
Maestro
Maestro
Maestro Elements
Maestro Elements
Markush Editor，Markush Search and Enumeration
Markush Editor，Markush Search and Enumeration
Marvin JS
Marvin JS
Marvin Live
Marvin Live
MarvinSketch
MarvinSketch
MarvinSpace
MarvinSpace
MarvinView
MarvinView
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Mass Spec Calculator Pro (MSC)
Materials Studio
材料建模模擬軟件
Mathcad Prime
Mathcad Prime
MathType
MathType
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Matlab
Mbook
Mbook
Metabolizer
Metabolizer
Mnova
核磁譜圖處理軟件
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MOE (Molecular Operating Environment)
Molecular Modeling Pro Plus
Molecular Modeling Pro Plus
MOPAC（Molecular Orbital PACkage）
MOPAC（Molecular Orbital PACkage）
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NAMD
NWChem
NWChem
Openbabel
Openbabel
OPSIN (Open Parser for Systematic IUPAC nomenclature)
OPSIN (Open Parser for Systematic IUPAC nomenclature)
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科學繪圖、數據分析軟件
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PASS
PCModel
PCModel
Phoenix Knowledgebase Server
Phoenix Knowledgebase Server
Pipeline Pilot
Pipeline Pilot
PIPER
PIPER
PowerRef
PowerRef
Prime
Prime
PrimeX
PrimeX
Process Management and Compliance Suite
Process Management and Compliance Suite
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PSILO
PyMOL
PyMOL
QikProp
QikProp
QM-polarized ligand docking
QM-polarized ligand docking
QSite
QSite
RasMol / OpenRasMol
RasMol / OpenRasMol
Reference Manager
文獻整理管理軟件
SARvision | Biologics
SARvision | Biologics
SARvision | SM
SARvision | SM
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SCIGRESS
Sequence 4-D
Sequence 4-D
Simcyp Simulator
Simcyp Simulator
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SIMION
Simplex Pro
Simplex Pro
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Sparky
Spartan
Spartan
Spotfire
Spotfire
SPROUT
SPROUT
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SPSS
Standardizer
Standardizer
Surflex
Surflex
TeraChem
TeraChem
TINKER
TINKER
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VMD
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計算機輔助有機合成