[Artificial Intelligence in Drug Discovery]. 2018

Takeshi Fujiwara, and Mayumi Kamada, and Yasushi Okuno
Dept. of Biomedical Data Intelligence, Graduate School of Medicine, Kyoto University.

According to the increase of data generated from analytical instruments, application of artificial intelligence(AI)technology in medical field is indispensable. In particular, practical application of AI technology is strongly required in "genomic medicine" and "genomic drug discovery" that conduct medical practice and novel drug development based on individual genomic information. In our laboratory, we have been developing a database to integrate genome data and clinical information obtained by clinical genome analysis and a computational support system for clinical interpretation of variants using AI. In addition, with the aim of creating new therapeutic targets in genomic drug discovery, we have been also working on the development of a binding affinity prediction system for mutated proteins and drugs by molecular dynamics simulation using supercomputer "Kei". We also have tackled for problems in a drug virtual screening. Our developed AI technology has successfully generated virtual compound library, and deep learning method has enabled us to predict interaction between compound and target protein.

UI MeSH Term Description Entries
D006801 Humans Members of the species Homo sapiens. Homo sapiens,Man (Taxonomy),Human,Man, Modern,Modern Man
D001185 Artificial Intelligence Theory and development of COMPUTER SYSTEMS which perform tasks that normally require human intelligence. Such tasks may include speech recognition, LEARNING; VISUAL PERCEPTION; MATHEMATICAL COMPUTING; reasoning, PROBLEM SOLVING, DECISION-MAKING, and translation of language. AI (Artificial Intelligence),Computer Reasoning,Computer Vision Systems,Knowledge Acquisition (Computer),Knowledge Representation (Computer),Machine Intelligence,Computational Intelligence,Acquisition, Knowledge (Computer),Computer Vision System,Intelligence, Artificial,Intelligence, Computational,Intelligence, Machine,Knowledge Representations (Computer),Reasoning, Computer,Representation, Knowledge (Computer),System, Computer Vision,Systems, Computer Vision,Vision System, Computer,Vision Systems, Computer
D015894 Genome, Human The complete genetic complement contained in the DNA of a set of CHROMOSOMES in a HUMAN. The length of the human genome is about 3 billion base pairs. Human Genome,Genomes, Human,Human Genomes
D055808 Drug Discovery The process of finding chemicals for potential therapeutic use. Drug Prospecting,Discovery, Drug,Prospecting, Drug
D030541 Databases, Genetic Databases devoted to knowledge about specific genes and gene products. Genetic Databases,Genetic Sequence Databases,OMIM,Online Mendelian Inheritance In Man,Genetic Data Banks,Genetic Data Bases,Genetic Databanks,Genetic Information Databases,Bank, Genetic Data,Banks, Genetic Data,Data Bank, Genetic,Data Banks, Genetic,Data Base, Genetic,Data Bases, Genetic,Databank, Genetic,Databanks, Genetic,Database, Genetic,Database, Genetic Information,Database, Genetic Sequence,Databases, Genetic Information,Databases, Genetic Sequence,Genetic Data Bank,Genetic Data Base,Genetic Databank,Genetic Database,Genetic Information Database,Genetic Sequence Database,Information Database, Genetic,Information Databases, Genetic,Sequence Database, Genetic,Sequence Databases, Genetic

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