Estimation of the size of drug-like chemical space based on GDB-17 data

Journal of Computer-Aided Molecular Design

Volumn 27, Issue 8, 2013, Pages 675-679

  Polishchuk, P G ^a   Madzhidov, T I ^b   Varnek, A ^c  

^a INSTITUTE OF HYDROBIOLOGY   (Ukraine)

^b KAZAN FEDERAL UNIVERSITY   (Russian Federation)

^c UNIVERSITÉ DE STRASBOURG   (France)

Author keywords

Chemical space; Drug like chemical space; Graphs enumeration

Indexed keywords

ATOMS; CHEMICAL ANALYSIS; SYNTHESIS (CHEMICAL);

CHEMICAL SPACE; COMBINATORIAL ENUMERATION; DRUG-LIKE CHEMICAL SPACE; EXHAUSTIVE ENUMERATION; GRAPH ENUMERATION; HEAVY ATOMS; MOLECULAR GRAPHS; SPACE-BASED; SYNTHESISED;

MOLECULES;

NEW DRUG;

ARTICLE; ATOM; CHEMICAL DATABASE; CHEMICAL SPACE; CHEMICAL STRUCTURE; DRUG DEVELOPMENT; DRUG SCREENING; PRIORITY JOURNAL;

ALGORITHMS; DATABASES, PHARMACEUTICAL; MOLECULAR STRUCTURE; PHARMACEUTICAL PREPARATIONS;

EID: 84884675983     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-013-9672-4     Document Type: Article

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