A multi-step and multi-level approach for computer aided molecular design

Computers and Chemical Engineering

Volumn 24, Issue 2-7, 2000, Pages 677-683

  Harper, Peter M ^a   Gani, Rafiqul ^a  

^a TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

Author keywords

CAMD; Group contribution; Knowledge base; Property prediction; Solvent selection; Substitution

Indexed keywords

ALGORITHMS; CHEMICAL COMPOUNDS; COMPUTER AIDED ANALYSIS; KNOWLEDGE BASED SYSTEMS; MOLECULES; PHYSICAL PROPERTIES; SOLVENTS; SUBSTITUTION REACTIONS;

COMPUTER AIDED MOLECULAR DESIGN; GROUP CONTRIBUTION; PROPERTY PREDICTION; SOLVENT SELECTION;

COMPUTER AIDED DESIGN;

CHEMICAL ENGINEERING; COMPUTER AIDED DESIGN; COMPUTER ANALYSIS; CONFERENCE PAPER; DATA ANALYSIS;

EID: 0034661164     PISSN: 00981354     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0098-1354(00)00410-5     Document Type: Conference Paper

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