Abstract: A structure-generating method for generating a structure candidate of a new material including: by a structure-generating processor: performing machine learning on a machine learning model, wherein the machine learning model is configured to provide a result based on a descriptor of a material, a physical property of the material, and a structure of the material; and generating a structure candidate of the new material based on the result of the machine learning, wherein the new material has a target physical property, and wherein the descriptor of the material, the physical property of the material, and the structure of the material are stored in a database.

Abstract: Provided are a condensed cyclic compound, an organic light-emitting device including the condensed cyclic compound, and an electronic device including the organic light-emitting device. The condensed cyclic compound is represented by Formula 1, wherein R12 is a group represented by Formula 2-1 and R13 is a group represented by Formula 2-2.

Abstract: Generating a new chemical structure by using a neural network using an expression region that expresses a particular property in a descriptor or an image for a reference chemical structure. The new chemical structure may be generated by changing a partial structure in the reference chemical structure that corresponds to the expression region.

Abstract: A method of generating a molecular structure includes generating, based on a predetermined number of a plurality of nodes, all possible two-dimensional (2D) graphs and a plurality of edges representing connections between the plurality of nodes and, for each 2D graph from among the generated 2D graphs, generating all possible molecular structures based on the 2D graph by substituting each of the plurality of nodes with a polygonal ring structure including carbon atoms and substituting the edges with bonds between polygonal ring structures. Also, a method includes substituting at least one of carbon atoms included in the polygonal ring structures with an atom other than a carbon atom.

Abstract: A method of generating a chemical structure performed by a neural network device includes receiving a target property value and a target structure characteristic value; selecting first generation descriptors; generating second generation descriptors; determining, using a first neural network of the neural network device, property values of the second generation descriptors; determining, using a second neural network of the neural network device, structure characteristic values of the second generation descriptors; selecting, from the second generation descriptors, candidate descriptors that satisfy the target property value and the target structure characteristic value; and generating, using the second neural network of the neural network device, chemical structures for the selected candidate descriptors.

Abstract: An organometallic compound represented by Formula 1: M(L1)n1(L2)n2(L3)n3??Formula 1 wherein in Formula 1, M, L1, L2, L3, n1, n2, and n3 are the same as defined in the specification.

Abstract: An organic light-emitting device including a first electrode, a second electrode facing the first electrode, and an organic layer disposed between the first electrode and the second electrode, wherein the organic layer includes an emission layer, and wherein the emission layer includes a fluorescent compound represented by a specific formula described in the specification.

Abstract: A structure-generating method for generating a structure candidate of a new material including: by a structure-generating processor: performing machine learning on a machine learning model, wherein the machine learning model is configured to provide a result based on a descriptor of a material, a physical property of the material, and a structure of the material; and generating a structure candidate of the new material based on the result of the machine learning, wherein the new material has a target physical property, and wherein the descriptor of the material, the physical property of the material, and the structure of the material are stored in a database.

Abstract: A method for searching a new material includes: performing a learning on a material model, which is modeled based on a known material; determining a candidate material by inputting a targeted physical property to a result of the learning; and determining the new material from the candidate material.