Fujifilm Corporation

Shino Ohira

Kyosuke Tsumura

Jun Nakabayashi

Nobutaka Fukagawa

Aiko Yoshida

Naoya Shimoju

Mayumi Nojiri

Mizuki Takei

Provided are a feature quantity calculating method, a feature quantity calculating program, and a feature quantity calculating device which enable calculation of a feature quantity accurately showing chemical properties of a target structure, a screening method, a screening program, and a screening device which enable efficient screening of a pharmaceutical candidate compound using a feature quantity, and a compound creating method, a compound creating program, and a compound creating device which enable efficient creation of a three-dimensional structure of a pharmaceutical candidate compound using a feature quantity. Since the chemical properties of target structures are exhibited as the result of an interaction between the target structure and probes in the periphery thereof, the fact that the degree of accumulation of the probes is similar between target structures indicates that the chemical properties of the target structures are similar. Therefore, the feature quantity accurately showing the chemical properties of the target structure can be calculated using the feature quantity calculating method according to one aspect of the present invention.

Feature quantity calculating method, feature quantity calculating program, and feature quantity calculating device, screening method, screening program, and screening device, compound creating method, compound creating program, and compound creating device

Provided are a method for searching for a molecular stable structure, a program for searching for a molecular stable structure, and a device for searching for a molecular stable structure, which are capable of acquiring a stable structure and various locally stable structures from a structural formula of a compound in a short time and with high accuracy. A three-dimensional structure is generated from the structural formula of the compound, and a locally stable structure is obtained from the three-dimensional structure. A one-dimensional or multidimensional energy distribution function for one or a plurality of internal coordinates and a probability distribution function of increasing a probability of low-energy internal coordinates are calculated from internal coordinates and an energy value of the locally stable structure. The method for searching for a molecular stable structure repeats the following processes: generating a three-dimensional structure based on the calculated probability distribution function; acquiring a locally stable structure; reflecting internal coordinates and an energy value of the obtained locally stable structure on the energy distribution function and the probability distribution function; and acquiring the locally stable structure, thereby obtaining a plurality of the locally stable structures and a structure with lowest energy. The program and the device for searching for a molecular stable structure execute the method.

Method for searching for molecular stable structure, program for searching for molecular stable structure, and device for searching for molecular stable structure

A polarizing plate, which includes at least a polarizer layer including an iodine-dyed polyvinyl alcohol film, and the polarizing plate including a compound with a bond dissociation energy E1 of less than or equal to 90.0 kcal/mol, a peroxide radical forming energy E2 of less than or equal to 0.0 kcal/mol, and a polyiodide ion Iforming ability in an iodide compound-containing solution of less than or equal to 1.0.

Polarizing plate, liquid crystal display device having the same, and method of manufacturing polarizing plate

Growing community of inventors

Kanagawa, Japan

Shino Ohira