SCOPUS 정보 검색 플랫폼

Journal of Computer-Aided Molecular Design

Volumn 15, Issue 8, 2001, Pages 697-708

Prediction of blood-brain partitioning using Monte Carlo simulations of molecules in water

(3) Kaznessis, Y N a Snow, M E b Blankley, C J b

a UNIVERSITY OF MICHIGAN (United States)

b PFIZER INC (United States)

Author keywords

Blood brain partition coefficient; Computer simulations; Monte Carlo; QSPR

Indexed keywords

BLOOD; HYDROGEN BONDS; INTELLIGENT SYSTEMS; MONTE CARLO METHODS;

BLOOD PARTITIONS; BLOOD-BRAIN PARTITION COEFFICIENT; CENTRAL NERVOUS SYSTEMS; DESCRIPTORS; LARGE-SCALES; MONTE CARLO; MONTE CARLO'S SIMULATION; PARTITION COEFFICIENT; QSPR; SOLVENT-ACCESSIBLE SURFACE AREA;

MOLECULES;

AMPHOPHILE; CENTRAL NERVOUS SYSTEM AGENTS; CHEMICAL AGENT; SOLVENT; UNCLASSIFIED DRUG; WATER;

ARTICLE; BLOOD BRAIN BARRIER; CALCULATION; CHEMICAL STRUCTURE; COMPUTER SIMULATION; CONTROLLED STUDY; CORRELATION FUNCTION; DIPOLE; DONOR; DRUG EFFICACY; EVALUATION; FEASIBILITY STUDY; HYDROGEN BOND; HYDROPHILICITY; HYDROPHOBICITY; MODEL; MOLECULE; PARTITION COEFFICIENT; PREDICTION; PRIORITY JOURNAL; SIMULATION; SOLUTE; SURFACE PROPERTY; SYSTEM ANALYSIS; THEORY;

EID: 0034751672 PISSN: 0920654X EISSN: None Source Type: Journal
DOI: 10.1023/A:1012240703377 Document Type: Article

Times cited : (58)

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