TOOLBOX         updated 21 June 2026
ADME	ADME -  ADMET-AI -  ADMETlab -  Biotransformer - CypReact - DrugLikeness - DruMAP - FAF-Drugs - pkCSM - PredHerg - SMARTcyp - SuperCYPsPred - SwissADME - XenoSite
AFFINITY	BindingDB
BLOGS	In the Pipeline - MacInChemBlog - Practical Fragments - Practical Cheminformatics - Water in Biology
BOOKS	AbeBooks - Amazon - Book collecting - BookFinder - Elliot Bay - First Ed. Points - ISBNdb - Signatures
CHEMISTRY	Acidity - History - IUPAC GoldBook - Heterocyclic Chem (Baran) - Organic Data - pKa_Amines - Spectra (JP) - Webelements
COMPAR. MODEL.	RoseTTAFold -  I-TASSER - Phyre - SWISS-MODEL
COMPOUNDS	AggregatorAdvisor - BadApple - BCFI - ChemAGG - CSD - CycPeptMPDB - DrugBank - LiabilityPredictor - H_Metabolome - Probes&Drugs - UW HTS - ZINC
COMPOUND CALC.	BRUSELAS - mayachemtools - pHSol - RDKit - RED (charges) - SWISSsimilarity
COMPUTING	C++ - CPU benchmarks - FORTRAN - GAMS - HPC - History of math - MacPorts - SAGE - TENSOR CALCULUS - Unix - vi - Wolfram: Demos - Integrator
CRYSTALLOGRAPHY	CCP4 - COD - Contaminer - Crystallization - on OSX - GRADE restraints - MolProbity - RuppWeb - SERp - SpaceGroups - Twilight
DESIGN	AUTOGROW - CSNAP - DiffSBDD - E-FTmap - MolHyb - NEWLEAD - OpenGrowth - Rings - ROCS - scPDBfrag - ScaffoldHunter - SwissIsostere - SwissSimilarity
DOCKING	AutoDock - DeltaVinaXGB - DeltaVinaRF - DOCK - DUBS - Dockovalent - FlexX - Moloc - PANTHER - PatchSurfer - rDOCK
DRUG DEVELOP.	CDER - Click2Drug - Datawarrior - DrugMint - HealthData - LEAD3D - Open Targets - SEA - Target Prediction - TDRTargets - TB pipeline - TTD
ELECTROSTATICS	APBS&PDB2PQR - ARGOS - MIBPB - PKA17 - PROPKA (pKa calc) - PypKa - RED - SMPBS - Wiki:pKaCalc
FRAGMENTS	;Enamine - LifeChemicals - molBlocks - Otava - Selcia - Vitas-M - Zenobia
GENES	Atlas Genetics Onco Hemat - Codon Usage - EupathDB - GeneCards - GeneticConditions - GeneTests - OMMBID
JOURNALS	ACS Inf Dis - C2W - CellPress J - JCIM - JMC - JCTC - Nature - Nat Rev DD - Nature SMB - NAR - PNAS - Science
KINASES	;KinCoRe - Kinformation - KinFragLib - KKB (K Knowledge DB) - KLIFS
LIPIDS	LIMONADA - LIPIDBANK - LIPID LIBRARY - LIPID MAPS - PRENbase
ORGANIZATIONS	EMA - USPTO - LifeScienceWA
PARASITES	GLOBAL Fund - Malaria Site
PHARMACOPHORE	AnchorQuery - Pharmit - ZINCPharmer
POCKETS	3DLigandSite - AlphaSpce - CASTp - CAVIARp - CAVERweb - CryptoSite - DoGSiteScorer - fpocket - FTmap - MetaPocket - Mole - PASS - POCASA - PockDrug - PocketQuery - PoSSum - PoVme - Sc-PDB - SplitPocket
PROTEINS	ASD (allosteric) - ConSurf - CUPSAT - DiffAcc - DisulfideByDesign - Dsspi - DynDom - EFI - ExPASy - FoldX - MEROPS - MisSense3D - PGD (PGeom) - PolyPhen - Probis-H2O - Proteins-Plus - SCOPe - SIFTER - SMAP - SSbond analog - WaterDock
STRUCTURES	BRENDA - CovPDB - CSD - EC2PDB - OCA - PDB - PDBbind - PDB_REDO - PDBSUM - ProBis
TOXICOLOGY	eToxPred - OpenTox
TRIALS	ClinTrials - ICTRP - OrphaNet
TRANSP-RECEPTOR	GPCRdb - IUPHAR Guide - Nuclear Receptors - TCDB
VARIOUS	AcademicTree - AroCageDB - ATP - BrownianMotor - BioNumbers - Cells:scale - iBiology - Macromodel - MerckManual - MolProbes - NEBtools - Optical illusions - OpenMolecules - PatentLens - SilicosIT - Reactome - Transliterate2Cyrillic - VirulenceFactorsDB - ZBH