Molecular filters#

Classes for computing molecular filters.


BeyondRo5Filter

Beyond Rule of Five (bRo5).

BMSFilter

BMS filter.

BrenkFilter

Brenk filter.

FAF4DruglikeFilter

FAFDrugs4 Drug-Like Soft filter.

FAF4LeadlikeFilter

FAFDrugs4 Lead-Like Soft filter.

GhoseFilter

Ghose Filter.

GlaxoFilter

Glaxo filter.

GSKFilter

GSK rule (4/400) filter.

HaoFilter

Hao rule for pesticides.

InpharmaticaFilter

Inpharmatica filter.

LINTFilter

LINT filter.

LipinskiFilter

Lipinski's Rule of 5 (RO5).

MLSMRFilter

MLSMR filter.

MolecularWeightFilter

Molecular weight filter.

NIBRFilter

NIBR filter.

NIHFilter

NIH filter.

OpreaFilter

Oprea filter.

PAINSFilter

Pan Assay Interference Compounds (PAINS) filter.

PfizerFilter

Pfizer 3/75 rule.

REOSFilter

REOS filter.

RuleOfFourFilter

Rule of four (Ro4).

RuleOfThreeFilter

Rule of three (Ro3).

RuleOfTwoFilter

Rule of two (Ro2).

RuleOfVeberFilter

Rule of Veber.

RuleOfXuFilter

Rule of Xu.

SureChEMBLFilter

SureChEMBL filter.

TiceHerbicidesFilter

Tice rule for herbicides.

TiceInsecticidesFilter

Tice rule for insecticides.

ValenceDiscoveryFilter

Valence Discovery © generative design filter.

ZINCBasicFilter

ZINC basic filter.

ZINCDruglikeFilter

ZINC druglike filter.