Analogical retrieval

Taber, K. S. (2012). Student-generated analogies. Retrieved from https //camtools.cam.ac.uk/ wiki/echpse/student-generated%20analogies.html. 

We elose with tliree eonnnents. First, there is preliminary work on retrieving not only the amplitude but also the phase of photon eehoes [49]. This appears to be a promising avenue to aequire eomplete 2-dimensional time and freqiieney infonnation on the dynamies, analogous to methods tliat have been used in NMR. Seeond, we note that there is a growing literature on non-pertnrbative, niimerieal simulation of nonlinear speetroseopies. In these methods, the eonsisteney of the order of interaetion with the field and the appropriate relaxation proeess is aehieved automatieally. 

Analogous to the principal concept of multiplex CARS microspectroscopy (cf. Sect. 6.3.5), in multiplex SRS detection a pair of a broad-bandwidth pulse, eg., white-light femtosecond pulse, and a narrow-bandwidth picosecond pulse that determine the spectral width of the SRS spectrum and its inherent spectral resolution, respectively, is used to simultaneously excite multiple Raman resonances in the sample. Due to SRS, modulations appear in the spectrum of the transmitted broad-bandwidth pulse, which are read out using a photodiode array detector. Unlike SRS imaging, it is difficult to integrate phase-sensitive lock-in detection with a multiplex detector in order to directly retrieve the Raman spectrum from these modulations. Instead, two consecutive spectra, i.e., one with the narrow-bandwidth picosecond beam present and one with that beam blocked, are recorded. Their ratio allows the computation of the linear Raman spectrum that can readily be interpreted in a quantitative manner [49]. Unlike the spectral analysis of a multiplex CARS spectrum, no retrieval of hidden phase information is required to obtain the spontaneous Raman response in multiplex SRS microspectroscopy. 

Similarity-driven retrieval of (hopefully) active analogs has nothing to do with actual pharmacophore elucidation. In a certain sense, it assumes that the query... 

Degeneracy is considered an undesirable characteristic for all molecular descriptors that are used for the characterization of molecules in store and retrieval database systems however, in QSAR modelling, degenerate properties are better modelled by molecular descriptors showing analogous degeneracy [Todeschini et al, 1998]. 

---