Pharmacophore Features Distributions in Different Classes of Compounds

Journal of Chemical Information and Computer Sciences

Volumn 43, Issue 5, 2003, Pages 1542-1552

  Zuccotto, Fabio ^a  

^a Inpharmatica Ltd   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

PHARMACOPHORES;

DRUG PRODUCTS; HYDROGEN BONDS; HYDROPHOBICITY; IONIZATION; MOLECULAR BIOLOGY; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE;

BIOCHEMISTRY;

EID: 0141890722     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci034068k     Document Type: Article

References (41)

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19. (19) Oprea (ref 5) concluded that the subset of the reactive compounds in ACD and MDDR have the same property distribution than the remaining set and that their removal from the dataset did not influence the overall property distribution. In this study it was assumed that the pharmacophore distribution is also similar in the each set of compounds.
20. Compounds that felt into any of the following classes were removed: MDDR- anesthetic, pulmonary surfactant, contrast medium, sweetener, dental agent, ultraviolet light absorber, radiosensitizer, radioprotector, radiopharmaceutical for brain imaging, imaging agent, pharmaceutical aid, keratolytic, dermatological aid, anti acne, spermicide, vaccine, photosintesizer, antidote, blood substitute, chemoprotective, wound healing agent, MoAb, lubricant agent. CMC- buffer, solvent, anesthetic, disinfectant, aerosol propellant, surfactant, preservative, surgical aid, radiopaque medium, X-ray contrast agent, insecticide, astringent, laxative, sweetener, dental caries prophylactic, ultraviolet screen, flavoring agents, chelating agents, radioprotective agent, sequestering agent, imagining agent, repartitioning agent, alkalizing agent, MRI agent, retinal oxygenizing agent, pharmaceutical aid, diagnostic aid, keratolytic agent, veterinary agent, scabicide, ectoparasiticide, nutrient, radiosensitizer, antiseptic, pigment, depigmentor, dermatological aid, antiacne, acaricide, sacaricide, parasiticide, vaccine, photosensitizer, alcohol denaturant, antidote, prosthetic aid, blood substitute, replenister, emulsifier, emollient, detoxicant, antiperspirant, iodine source, emulsifier.
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41. The 8251 compounds in the MDDR-L displayed a total of 16920 biological activities grouped in 525 unique indications.