document: MTD-PLS : a PLS-based variant of the MTD method . II . Mapping ligand-receptor interactions . Enzymatic acetic acid esters hydrolysis The PLS variant of the MTD method -LRB- T.I. Oprea et al. , SAR QSAR Environ . Res . 2001 , 12 , 75-92 -RRB- was applied to a series of 25 acetylcholinesterase hydrolysis substrates . Statistically significant MTD-PLS models -LRB- q/sup 2 / between 0.7 and 0.8 -RRB- are in agreement with previous MTD models , with the advantage that local contributions are understood beyond the occupancy/nonoccupancy interpretation in MTD . A `` chemically intuitive '' approach further forces MTD-PLS coefficients to assume only negative -LRB- or zero -RRB- values for fragmental volume descriptors and positive -LRB- or zero -RRB- values for fragmental hydrophobicity descriptors . This further separates the various kinds of local interactions at each vertex of the MTD hypermolecule , making this method suitable for medicinal chemistry synthesis planning
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