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Kotera, M.

Publications and source records attributed to Kotera, M..

3 recordsLinked to original sources

GenerRNA: A generative pre-trained language model for de novo RNA design

AO_SCPLOWBSTRACTC_SCPLOWThe design of RNA plays a crucial role in developing RNA vaccines, nucleic acid therapeutics, and innovative biotechnological tools. Nevertheless, existing techniques lack versatility across various tasks and frequently suffer from a deficiency of automated generation. Inspired by the remarkable success of Large Language Models (LLMs) in the realm of protein and molecule design, we present GenerRNA, the first large-scale pre-trained model for RNA generation, aiming to further automate RNA design. Our approach eliminates the need for secondary structure or other prior knowledge and is capable of de novo generation of RNA with stable secondary structures while ensuring its distinctiveness from existing sequences. This widens our exploration of RNA space, thereby enriching our understanding of RNA structures and functions. Moreover, GenerRNA is fine-tunable on smaller, more specialized datasets for particular subtasks. This flexibility and versatility enables the generation of RNAs with desired specific functionalities or properties. Upon fine-tuning GenerRNA, we successfully generated novel RNA sequences exhibiting high affinity for target proteins. GenerRNA is freely available at the following repository: https://github.com/pfnet-research/GenerRNA

bioinformatics↗

KPHMMER: Hidden Markov Model generator for detecting KEGG PATHWAY-specific genes.

MotivationReinforcement of HMMER search for secondary metabolism-specific Pfam domains should contribute to discover novel biosynthetic machinery of clinically important natural products.\n\nResultsHere we provide a Python-based command line tool, named as KPHMMER, to extract the Pfam domains that are specific in the user-defined set of pathways in the user-defined set of organisms registered in the KEGG database. KPHMMER outperformed the previous study in detecting secondary metabolism-specific Pfam domain set. Furthermore, it was proven that KPHMMER helps reduce the computational cost compared with the case using the whole Pfam-A HMM file. We believe that KPHMMER is a powerful tool enabling to deal with many other genome-sequenced species for more general purpose.\n\nAvailabilityKPHMMER is implemented as a Python package freely available via the package management system \"pip\" and also at https://github.com/suecharo/KPHMMER\n\nContactmaskot@chemsys.t.u-tokyo.ac.jp

pathology↗

KCF-Convoy: efficient Python package to convert KEGG Chemical Function and Substructure fingerprints

MotivationIn silico methodologies to assess pharmaceutical activity and toxicity are increasingly important in QSAR, and many chemical fingerprints have been developed to tackle this problem. Among them, KEGG Chemical Function and Substructure (KCF-S) has been shown to perform well in some pharmaceutical and metabolic studies. However, the software that generates KCF-S fingerprints has limited usability: the input file must be Molfile or SDF format, and the output is only a text file.\n\nResultsWe established a new Python package, KCF-Convoy, to generate KCF format and KCF-S fingerprints from Molfile, SDF, SMILES, and InChI seamlessly. The obtained KCF-S was used in a number of supervised machine-learning methods to distinguish herbicides from other pesticides, and to find characteristic substructures in taxonomy groups.\n\nAvailabilityKCF-Convoy is implemented as a Python package freely available at https://github.com/KCF-Convoy and the user can use the package management system \"pip\" and also the Docker environment.\n\nContactmaskot@chemsys.t.u-tokyo.ac.jp

bioinformatics↗