Anti-SRP antibodies are associated with severe neurological symptoms, more so than are anti-HMGCR antibodies. Although these autoantibodies are independent serological markers associated with IMNM, patients bearing either share common characteristics.
Many therapeutic drugs are compounds that can be represented by simple chemical structures, which contain important determinants of affinity at the site of action. Recently, graph convolutional neural network (GCN) models have exhibited excellent results in classifying the activity of such compounds. For models that make quantitative predictions of activity, more complex information has been utilized, such as the three-dimensional structures of compounds and the amino acid sequences of their respective target proteins. As another approach, we hypothesized that if sufficient experimental data were available and there were enough nodes in hidden layers, a simple compound representation would quantitatively predict activity with satisfactory accuracy. In this study, we report that GCN models constructed solely from the two-dimensional structural information of compounds demonstrated a high degree of activity predictability against 127 diverse targets from the ChEMBL database. Using the information entropy as a metric, we also show that the structural diversity had less effect on the prediction performance. Finally, we report that virtual screening using the constructed model identified a new serotonin transporter inhibitor with activity comparable to that of a marketed drug in vitro and exhibited antidepressant effects in behavioural studies.
In order to use the large, electro‐optic coefficient of a nonlinear optical ionic crystal, 4‐(p‐dimethylaminostyryl)‐1‐methylpyridinium tosylate (DAST), a channel optical waveguide structure is needed. We successfully fabricated a waveguide using two methods: by a dry‐etching technique and by photo‐bleaching. Because DAST has a large optical loss, parts of the waveguide should be composed of a transparent polymer. We used photolithography and a reactive ion etching method to fabricate a serially grafted (conjunct) waveguide of DAST with a transparent polymer waveguide. The waveguide was also fabricated by photobleaching, whereby the refractive indices of the crystal’s a‐ and b‐axes were decreased by degrading the crystal. The cladding part of the DAST waveguide was photobleached by irradiating with UV light. The under‐ and over‐cladding layers of these channel waveguides were composed of a UV‐cured resin that did not dissolve the DAST crystal. The loss of the crystal waveguide for the crystal b‐direction was around 10 dB/cm, due to the scattering loss of the DAST single crystal.
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