4 results about "Combinatorial synthesis" patented technology

Precursors for forming a plurality of multielement materials of different compositions can be deposited on different portions of a common substrate according to a combinatorial approach. The substrate can be subjected to a thermal shock, thereby converting the deposited precursors into separate multielement materials on the substrate. The thermal shock can be a temperature greater than or equal to 500° C. and a duration less than 60 seconds. In some embodiments, each multielement material can be tested with respect to an electrical property, a chemical property, or an optical property. Based on the results of the testing, a composition of a multielement material can be determined for use in a predetermined application, such as use as a catalyst, a plasmonic nanoparticle, an energy storage device, an optoelectronic device, a solid-state electrolyte, or an ion conductive membrane.

Systems and methods are provided for identifying compounds in a combinatorial synthesis library (CSL) having particular molecular properties. The CSL is accessed using an autoencoder comprising an encoder and a decoder. The encoder maps compounds in the CSL into latent codes in a learned latent space. The decoder retrieves molecular structures of the compounds using such codes. A policy selects a batch of latent codes, and identifies a plurality of compounds from the batch of latent codes using the decoder. Molecular properties of these compounds are determined, and a reward function value for each compound is determined using the molecular properties. A probability density under a target distribution is determined using the reward function values, in which latent codes are sampled from the CSL by the autoencoder with probabilities proportional to the harmonic reward function values. Policy parameters are updated using at least one difference between the probability density and the target distribution using an alpha-divergence based objective function.

This invention relates to the field of biotechnology, specifically to a biosynthetic method for the synthesis of daidzein precursors and daidzein based on daidzein catalysis. This invention synthesizes daidzein precursors glyceollidinⅠ (GD1) or glyceollidinⅡ (GD2) by co-expressing the genes AtPAL2, GmCHS8, GmCHR5, GmCHI1B1, GmIFS1, GmHID and AtMYB60, which are involved in daidzein synthesis, along with downstream daidzein genes GmI2'H, GmIFR, GmVR, GmPTS1, GmD6aH and GmG4DT, or GmI2'H, GmIFR, GmVR, GmPTS1, GmD6aH and GmG2DT, in *Nicotiana benthamiana* mediated by *Agrobacterium*. Furthermore, it co-expresses any one or a combination of several of the daidzein synthase genes GmGS1a, GmGS1b, GmGS2a, GmGS2b, GmGS3 / 7, and GmGS3e. This invention utilizes the Benedictine platform, based on daidzein, a key precursor in the biosynthesis of highly accumulated isoflavones, to reconstruct the biosynthetic pathways of the direct precursors of daidzein, GD1 and GD2. It elucidates the daidzein biosynthetic pathway, paving the way for heterologous daidzein biosynthesis and laying a scientific theoretical and technological foundation for the large-scale industrial production and medicinal function research of antibacterial daidzein.

Systems and methods for querying a combinatorial synthesis library comprising a plurality of compounds and representing a plurality of reaction types, where each reaction type maps to a plurality of reactants, and each reactant maps to a plurality of synthons, accepts a query in the form of a single graph into a molecular encoder model, thereby obtaining a query vector. The query vector is inputted into a reaction query generator model thereby obtaining a first reaction type and a first plurality of reactants. A synthon is determined for each reactant by inputting the reactant into a synthon query generator model. A set of synthons is therefore determined, each corresponding to a reactant in the first plurality of reactants. A molecular structure in the combinatorial synthesis library is identified that includes the set of synthons arranged in accordance with a synthesis rule associated with the first reaction type.