An informatic pipeline for managing high-throughput screening experiments and analyzing data from stereochemically diverse libraries

Journal of Computer-Aided Molecular Design

Volumn 27, Issue 5, 2013, Pages 455-468

  Mulrooney, Carol A ^a   Lahr, David L ^a   Quintin, Michael J ^a   Youngsaye, Willmen ^a   Moccia, Dennis ^a   Asiedu, Jacob K ^a   Mulligan, Evan L ^a   Akella, Lakshmi B ^a   Marcaurelle, Lisa A ^a   Montgomery, Philip ^a   Bittker, Joshua A ^a   Clemons, Paul A ^a   Brudz, Stephen ^a   Dandapani, Sivaraman ^a   Duvall, Jeremy R ^a   Tolliday, Nicola J ^a   De Souza, Andrea ^a  

^a MASSACHUSETTS INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

Cheminformatics; Cherry picking; Diversity oriented synthesis; High throughput screening; Hit calling; Structure activity relationships

Indexed keywords

CHEMICAL ANALYSIS; DATA HANDLING; INFORMATION ANALYSIS; RECORDS MANAGEMENT; SYNTHESIS (CHEMICAL); THROUGHPUT;

CHEMINFORMATICS; CHERRY PICKING; DATA ANALYSIS TOOL; DIVERSITY-ORIENTED SYNTHESIS; FOLLOW UP; HIGH THROUGHPUT SCREENING; HIT CALLING; INFORMATICS; SCREENING EXPERIMENTS; STRUCTURE-ACTIVITY RELATIONSHIPS;

STEREOCHEMISTRY;

ARTICLE; BIOINFORMATICS; CHEMICAL STRUCTURE; CHERRY PICKING; CHIRALITY; DATA ANALYSIS; DATA BASE; DOWNSTREAM PROCESSING; FILTRATION; FOLLOW UP; HIGH THROUGHPUT SCREENING; HIT CALLING; INFORMATION PROCESSING; MOLECULAR BIOLOGY; MOLECULAR LIBRARY; PHYSICAL CHEMISTRY; PRIORITY JOURNAL; PROCESS OPTIMIZATION; STEREOCHEMICAL STRUCTURE ACTIVITY RELATIONSHIP VIEWER; STEREOCHEMISTRY; STEREOISOMERISM; STRUCTURE ACTIVITY RELATION;

EID: 84879303559     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-013-9641-y     Document Type: Article

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