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Pyrrolizidine alkaloids necine bases: Ab initio, semiempirical, and molecular mechanics approaches to molecular properties.
Marcelo Giordan
Rogério Custodio
José Roberto Trigo
Published in:
J. Comput. Chem. (1996)
Keyphrases
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molecular dynamics
protein structure prediction
three dimensional
databases
information systems
dna computing
database
neural network
machine learning
case study
machine learning algorithms
structural properties
strengths and weaknesses
desirable properties
interaction networks