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New Description of Molecular Chirality and Its Application to the Prediction of the Preferred Enantiomer in Stereoselective Reactions.
João Aires-de-Sousa
Johann Gasteiger
Published in:
J. Chem. Inf. Comput. Sci. (2001)
Keyphrases
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prediction accuracy
high level
prediction algorithm
drug design
chemical reactions
database
real time
prediction model
case study
protein structure prediction
protein function prediction
molecular structure