Neural network-based QSAR and insecticide discovery: Spinetoram

Journal of Computer-Aided Molecular Design

Volumn 22, Issue 6-7, 2008, Pages 393-401

  Sparks, Thomas C ^a   Crouse, Gary D ^a   Dripps, James E ^a   Anzeveno, Peter ^a,b   Martynow, Jacek ^a,c   DeAmicis, Carl V ^a   Gifford, James ^a  

^a DOW AGROSCIENCES LLC   (United States)

^b ELI LILLY AND COMPANY   (United States)

^c Rib X Pharmaceuticals Incorporated   (United States)

Author keywords

Artificial neural networks; Neural network based QSAR; QSAR; Quantitative structure activity relationships; Spinetoram; Spinosyns; Virtual screening

Indexed keywords

COMPUTATIONAL CHEMISTRY; FERMENTATION; INSECTICIDES; MOLECULAR GRAPHICS;

NETWORK-BASED; NEURAL NETWORK BASED QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP; NEURAL-NETWORKS; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP; SPECTRA'S; SPINETORAM; SPINOSYNS; VIRTUAL SCREENING;

NEURAL NETWORKS;

5,6 DIHYDROSPINOSYN A; BACTERIAL PROTEIN; CIPERMETHRIN; FENAZAQUIN; IMIDACLOPRID; INSECTICIDE; O ETHYL 5,6 DIHYDROSPINOSYN A; O ETHYL SPINOSYN; O N PROPYL SPINOSYN; PESTICIDE; SPINETORAM; SPINOSYN A;

ARTIFICIAL NEURAL NETWORK; CHEMICAL ANALYSIS; CHEMICAL MODIFICATION; CHEMICAL STRUCTURE; CONFERENCE PAPER; CONTROLLED STUDY; LC 50; MOLECULAR EVOLUTION; NONHUMAN; ORGANIC CHEMISTRY; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SACCHAROPOLYSPORA; SACCHAROPOLYSPORA SPINOSA; SUBSTITUTION REACTION; SYNTHESIS; TOXICITY TESTING;

EID: 44249097033     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-008-9205-8     Document Type: Conference Paper

References (29)