In silico ADME modelling 2: Computational models to predict human serum albumin binding affinity using ant colony systems

Bioorganic and Medicinal Chemistry

Volumn 14, Issue 12, 2006, Pages 4118-4129

  Gunturi, Sitarama B ^a   Narayanan, Ramamurthi ^a   Khandelwal, Akash ^b  

^a TATA CONSULTANCY SERVICES   (India)

^b NORTH DAKOTA STATE UNIVERSITY   (United States)

Author keywords

ADMET; Ant colony systems; Human serum albumin; Protein binding; QSPR

Indexed keywords

ACETYLSALICYLIC ACID; AMOXICILLIN; ATENOLOL; CAFFEINE; CEFALEXIN; CEFUROXIME; CEFUROXIME AXETIL; CHLORAMPHENICOL; CHLORPROPAMIDE; CIMETIDINE; CROMOGLYCATE DISODIUM; EBSELEN; ETOPOSIDE; FLUCYTOSINE; HUMAN SERUM ALBUMIN; HYDROCHLOROTHIAZIDE; HYDROCORTISONE; METHOTREXATE; ORGANIC COMPOUND; PARACETAMOL; PENICILLIN V; PHENAZONE; PROPYLTHIOURACIL; SALICYLIC ACID; SOTALOL; TOLAZAMIDE; TRYPTOPHAN; UNINDEXED DRUG; WATER; ZIDOVUDINE; DRUG; SERUM ALBUMIN;

ARTICLE; ATOM; CORRELATION ANALYSIS; DRUG ABSORPTION; DRUG DISTRIBUTION; DRUG EXCRETION; DRUG METABOLISM; DRUG PROTEIN BINDING; DRUG SCREENING; DRUG SOLUBILITY; HYDROPHOBICITY; MATHEMATICAL COMPUTING; MATHEMATICAL MODEL; METHODOLOGY; MULTIPLE LINEAR REGRESSION ANALYSIS; MULTIVARIATE ANALYSIS; POLARIZATION; PREDICTION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STOCHASTIC MODEL; ALGORITHM; BINDING COMPETITION; BINDING SITE; BIOLOGY; CHEMISTRY; COMPUTER NETWORK; COMPUTER PROGRAM; COMPUTER SIMULATION; FACTUAL DATABASE; HUMAN; IN VITRO STUDY; METABOLISM; REGRESSION ANALYSIS; REPRODUCIBILITY; STATISTICAL MODEL; STATISTICS;

ALGORITHMS; BINDING SITES; BINDING, COMPETITIVE; COMPUTATIONAL BIOLOGY; COMPUTER COMMUNICATION NETWORKS; COMPUTER SIMULATION; DATABASES, FACTUAL; DRUG EVALUATION, PRECLINICAL; HUMANS; LINEAR MODELS; PHARMACEUTICAL PREPARATIONS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REGRESSION ANALYSIS; REPRODUCIBILITY OF RESULTS; SERUM ALBUMIN; SOFTWARE; STOCHASTIC PROCESSES;

EID: 33746796821     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2006.02.008     Document Type: Article

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