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FILTER, v2.1.1
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FILTER
ΒΆ
Front Matter
Installation and Platform Notes
Licenses
General Installation
Linux/Unix
Windows
Mac OS X
Filtering Theory
Introduction
History
The Rant!
Filtering Principles
Variations of Filters
Accumulation of Rules
FILTER Application Usage
Command Line Interface
Required Parameters
Example Executions
Filter Preprocessing
Metal Removal
Salt Removal
pKa Normalization
Normalization
Reagent Selection
Type Checking
Molecular Properties and Predictors
Structural and Chemical Features
Functional Groups
Dyes
LogP
LogS
Polar Surface Area
Lipinski and Hydrogen-bonds
Aggregators
Filter Files
Physical Property Limits
Basic Properties
LogP
Solubility
Pharmacokinetic Predictors
Aggregators
Elemental Filters
Functional Group Rules
acetal
acid_halide
acyclic_NCN
acyclic_NS
acyl_cyanides
acylhydrazide
alcohol
aldehyde
alkene
alkylaniline
alkyl_halide
alkyl_phosphate
alkyne
alphahalo_amine
alphahalo_ketone
amide
aminal
amine
amino_acid
anhydride
aniline
arenesulfonyl
aryl_halide
azide
aziridine
azo
azocyanamides
benzyl_ether
benzyloxycarbonyl_CBZ
beta_azo_carbonyl
beta_carbonyl_quat_nitrogen
beta_halo_carbonyl
carbamate
carbamic_acid
carbodiimide
carbonate
carboxylic_acid
cation_C_Cl_I_P_or_S
cyanohydrins
cycloheximide_derivatives
cyclopropyl
cytochalasin_derivatives
dioxane_6MR
dioxolane_5MR
di_peptide
disulfide
dithioacetal
dye
enamine
enol_ether
epoxide
ester
ether
fluorenylmethoxycarbonyl_Fmoc
guanidine
halide
halo_alkene
halopyrimidine
hemiacetal
hemiaminal
hemiketal
HOBT_esters
hydrazine
hydrazone
hydroxamic_acid
hydroxylamine
imine
iodine
iodoso
iodoxy
isocyanate
isonitrile
isothiocyanate
ketal
ketone
lactam
lactone
lawesson_s_reagent
malonic
methoxyethoxymethyl_MEM
methyl_ketone
michael_acceptor
monensin_derivatives
nitrile
nitro
nitroso
N_methoyl
nonacylhydrazone
noxide
N_P_S_Halides
NS_beta_halothyl
organometallic
oxalyl
oxaziridine
oxime
oxygen_cation
paranitrophenyl_esters
pentafluorophenyl_esters
perhalo_ketone
peroxide
phenol
phosphanes
phosphinic_acid
phosphonamide
phosphonic_acid
phosphonic_ester
phosphonylnitrile
phosphoramides
phosphoranes
phosphoric_acid
phosphoric_ester
phosphoryl
phosphoryl
phthalimides_PHT
polyenes
primary_amine
propiolactones
quinone
saponin_derivatives
SCN2
secondary_amine
squalestatin_derivatives
sulfide
sulfinimine
sulfinylthio
sulfonamide
sulfone
sulfonic_acid
sulfonic_ester
sulfonimine
sulfonyl_halide
sulfonylnitrile
sulfonylurea
sulfoxide
t_butyl_ether
terminal_vinyl
tertiary_amine
tetrahydropyran_THP
thioamide
thiocarbamate
thioester
thiourea
triazine
tricarbo_phosphene
trimethylsilyl_TMS
urea
New Rules
Selection Statements
Release Notes
FILTER 2.1.1
New features
Minor bug fixes
FILTER 2.1.0
(May 2010)
New Features
FILTER 2.0.3
(November 2009)
(Toolkit only)
Bug fixes
FILTER 2.0.2
(March 2009)
Bug fixes
FILTER 2.0.1
(January 2007)
New features
Bug fixes
FILTER 2.0.0
(October 2005)
New features
Bibliography
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FILTER, v2.1.1
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