SCOPUS 정보 검색 플랫폼

Molecular Informatics

Volumn 35, Issue 5, 2016, Pages 192-198

Designing Multi-target Compound Libraries with Gaussian Process Models

(6) Bieler, Michael a Reutlinger, Michael b Rodrigues, Tiago b Schneider, Petra b Kriegl, Jan M a Schneider, Gisbert b

a BOEHRINGER INGELHEIM PHARMA GMBH AND CO KG (Germany)

b ETH ZURICH (Switzerland)

Author keywords

ant colony optimization; combinatorial chemistry; drug design; machine learning; polypharmacology

Indexed keywords

ANT COLONY OPTIMIZATION; BIOCHIPS; DESIGN; DIGITAL LIBRARIES; GAUSSIAN NOISE (ELECTRONIC); LIBRARIES;

COMBINATORIAL CHEMISTRY; COMPOUND LIBRARIES; DRUG DESIGN; G PROTEIN COUPLED RECEPTORS; GAUSSIAN PROCESS MODELS; LIBRARY DESIGNS; MACHINE-LEARNING; MULTI-TARGETS; POLYPHARMACOLOGY; PUBLIC DATA;

ARTIFICIAL INTELLIGENCE;

ADENOSINE A1 RECEPTOR; G PROTEIN COUPLED RECEPTOR; MELANIN CONCENTRATING HORMONE RECEPTOR 1; SEROTONIN 2C RECEPTOR;

ARTICLE; CHEMICAL REACTION; CHEMICAL STRUCTURE; GAUSSIAN PROCESS MODEL; MODEL; PRIORITY JOURNAL; ANTAGONISTS AND INHIBITORS; COMBINATORIAL CHEMISTRY; DRUG DATABASE; DRUG DESIGN; MACHINE LEARNING; MOLECULAR LIBRARY; MOLECULAR MODEL; NORMAL DISTRIBUTION; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

COMBINATORIAL CHEMISTRY TECHNIQUES; DATABASES, PHARMACEUTICAL; DRUG DESIGN; MACHINE LEARNING; MODELS, MOLECULAR; NORMAL DISTRIBUTION; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RECEPTORS, G-PROTEIN-COUPLED; SMALL MOLECULE LIBRARIES;

EID: 84959567546 PISSN: 18681743 EISSN: 18681751 Source Type: Journal
DOI: 10.1002/minf.201501012 Document Type: Article

Times cited : (8)

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