In silico assessment of the acute toxicity of chemicals: Recent advances and new model for multitasking prediction of toxic effect

Mini-Reviews in Medicinal Chemistry

Volumn 15, Issue 8, 2015, Pages 677-686

  Kleandrova, Valeria V ^a,b   Luan, Feng ^b,c   Speck Planche, Alejandro ^b   Cordeiro, M Natália D S ^b  

^a MOSCOW STATE UNIVERSITY OF FOOD PRODUCTION   (Russian Federation)

^b UNIVERSITY OF PORTO   (Portugal)

^c YANTAI UNIVERSITY   (China)

Author keywords

Acute toxicity; Artificial neural networks; Laboratory animals; mtk QSTR; Route of administration; Spectral moments

Indexed keywords

FULLERENE DERIVATIVE; PLERIXAFOR; THIAMINE; TINIDAZOLE; ANTI HUMAN IMMUNODEFICIENCY VIRUS AGENT; ANTIPROTOZOAL AGENT; DRUG; FULLERENOL; HETEROCYCLIC COMPOUND; VITAMIN B COMPLEX;

ACUTE TOXICITY; ANIMAL EXPERIMENT; AREA UNDER THE CURVE; ARTICLE; ARTIFICIAL NEURAL NETWORK; CHEMICAL INTERACTION; CHEMICAL STRUCTURE; COMPUTER MODEL; HYDROPHOBICITY; LD50; MOUSE; NONHUMAN; PARSIMONY ANALYSIS; PHYSICAL CHEMISTRY; POLARIZATION; RAT; RECEIVER OPERATING CHARACTERISTIC; SENSITIVITY AND SPECIFICITY; STRUCTURE ACTIVITY RELATION; STRUCTURE TOXICITY RELATION; VALIDATION STUDY; ANIMAL; BIOLOGICAL MODEL; COMPUTER SIMULATION; DRUG DATABASE; DRUG DEVELOPMENT; HUMAN; PROCEDURES; QUANTITATIVE STRUCTURE ACTIVITY RELATION; TOXICOLOGY;

ANIMALS; ANTI-HIV AGENTS; ANTIPROTOZOAL AGENTS; COMPUTER SIMULATION; DATABASES, PHARMACEUTICAL; DRUG DISCOVERY; FULLERENES; HETEROCYCLIC COMPOUNDS; HUMANS; MODELS, BIOLOGICAL; MODELS, MOLECULAR; NEURAL NETWORKS (COMPUTER); PHARMACEUTICAL PREPARATIONS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; THIAMINE; TINIDAZOLE; TOXICOLOGICAL PHENOMENA; VITAMIN B COMPLEX;

EID: 84929629905     PISSN: 13895575     EISSN: 18755607     Source Type: Journal    
DOI: 10.2174/1389557515666150219143604     Document Type: Article

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