國立高雄大學圖資館 |

登入

回首頁

Drug development supported by informatics

紀錄類型:	書目-電子資源 : Monograph/item
正題名/作者:	Drug development supported by informaticsby Hiroko Satoh ; edited by Kimito Funatsu, Hiroshi Yamamoto.
作者:	Satoh, Hiroko.
其他作者:	Funatsu, Kimito.
出版者:	Singapore :Springer Nature Singapore :2024.
面頁冊數:	xii, 357 p. :ill. (some col.), digital ;24 cm.
Contained By:	Springer Nature eBook
標題:	DrugsDesign.
電子資源:	https://doi.org/10.1007/978-981-97-4828-0
ISBN:	9789819748280$q(electronic bk.)

Drug development supported by informatics
Satoh, Hiroko.

Drug development supported by informatics[electronic resource] /by Hiroko Satoh ; edited by Kimito Funatsu, Hiroshi Yamamoto. - Singapore :Springer Nature Singapore :2024. - xii, 357 p. :ill. (some col.), digital ;24 cm.

The AI Trends in Chemical Space for Drug Discovery -- Screening Methods for Drugs Using Chemoinformatics Methods for Beginners -- Data-driven Molecular Structure Generation for Inverse QSPR/QSAR Problem -- Materials Informatics with Limited Data -- Primer on Graph Machine Learning -- Subgraph-based Molecular Graph Generation -- Language Models in Molecular Discovery -- Transformers and Large Language Models for Chemistry and Drug Discovery -- Drug Discovery and Drug Repositioning Using Computational Methods -- Two and Three-dimensional Molecular Representations in Ligand-based Approaches -- Electronic-Structure Informatics for Drug Development -- Data-Driven Chemistry for Developing Organic Synthesis Routes for Functional Chemicals -- "Quantum-Chemoinformatics" for Design and Discovery of New Molecules and Reactions -- Toxicity Prediction System for Chemical Substances Based on Toxicity Expression Mechanisms - AI-SHIPS -- Data Assimilation to Integrate High-speed Atomic Force Microscopy with Biomolecular Simulations: Characterization of Drug Target Functions -- Potential of High-Spatiotemporal Resolution Live Cell Imaging for Drug Discovery and Development -- Design of Biomaterials Using Informatics -- Monitoring and Controlling in Continuous Manufacturing Process -- Formulation using Hansen Solubility Parameters.

This book describes the state-of-the-art of chemoinformatics, bioinformatics, materials informatics and measurement/metrology informatics to develop drugs with desired activity or physicochemical properties and to optimize the functionality, efficacy, safety and quality of the compounds for drugs. Recently, "AI drug discovery", drug discovery research utilizing artificial intelligence technology such as machine learning, has attracted much attention. This book provides an overview of the four applied informatics fields and their applications in drug development for a wide spectrum of readers from learners to professional scientists in academia and industry. It focuses on the basic research stage of drug development with contributions from experts at the forefront of these fields. The authors hope that this book will be of assistance to explore new opportunities for collaboration between pharmaceutical science and informatics.

ISBN: 9789819748280$q(electronic bk.)

Standard No.: 10.1007/978-981-97-4828-0doiSubjects--Topical Terms:

201742
Drugs
--Design.

LC Class. No.: RS420

Dewey Class. No.: 615.19

Drug development supported by informatics
LDR:03300nmm a2200337 a 4500 001 671509
003 DE-He213
005 20241031112717.0
006 m d
007 cr nn 008maaau
008 250325s2024 si s 0 eng d
020 $a 9789819748280$q(electronic bk.)
020 $a 9789819748273$q(paper)
024 7 $a 10.1007/978-981-97-4828-0 $2 doi
035 $a 978-981-97-4828-0
040 $a GP $c GP
041 0 $a eng
050 4 $a RS420
072 7 $a PNN $2 bicssc
072 7 $a PSB $2 bicssc
072 7 $a SCI013020 $2 bisacsh
072 7 $a PNB $2 thema
082 0 4 $a 615.19 $2 23
090 $a RS420 $b .S253 2024
100 1 $a Satoh, Hiroko. $3 984480
245 1 0 $a Drug development supported by informatics $h [electronic resource] / $c by Hiroko Satoh ; edited by Kimito Funatsu, Hiroshi Yamamoto.
260 $a Singapore : $b Springer Nature Singapore : $b Imprint: Springer, $c 2024.
300 $a xii, 357 p. : $b ill. (some col.), digital ; $c 24 cm.
505 0 $a The AI Trends in Chemical Space for Drug Discovery -- Screening Methods for Drugs Using Chemoinformatics Methods for Beginners -- Data-driven Molecular Structure Generation for Inverse QSPR/QSAR Problem -- Materials Informatics with Limited Data -- Primer on Graph Machine Learning -- Subgraph-based Molecular Graph Generation -- Language Models in Molecular Discovery -- Transformers and Large Language Models for Chemistry and Drug Discovery -- Drug Discovery and Drug Repositioning Using Computational Methods -- Two and Three-dimensional Molecular Representations in Ligand-based Approaches -- Electronic-Structure Informatics for Drug Development -- Data-Driven Chemistry for Developing Organic Synthesis Routes for Functional Chemicals -- "Quantum-Chemoinformatics" for Design and Discovery of New Molecules and Reactions -- Toxicity Prediction System for Chemical Substances Based on Toxicity Expression Mechanisms - AI-SHIPS -- Data Assimilation to Integrate High-speed Atomic Force Microscopy with Biomolecular Simulations: Characterization of Drug Target Functions -- Potential of High-Spatiotemporal Resolution Live Cell Imaging for Drug Discovery and Development -- Design of Biomaterials Using Informatics -- Monitoring and Controlling in Continuous Manufacturing Process -- Formulation using Hansen Solubility Parameters.
520 $a This book describes the state-of-the-art of chemoinformatics, bioinformatics, materials informatics and measurement/metrology informatics to develop drugs with desired activity or physicochemical properties and to optimize the functionality, efficacy, safety and quality of the compounds for drugs. Recently, "AI drug discovery", drug discovery research utilizing artificial intelligence technology such as machine learning, has attracted much attention. This book provides an overview of the four applied informatics fields and their applications in drug development for a wide spectrum of readers from learners to professional scientists in academia and industry. It focuses on the basic research stage of drug development with contributions from experts at the forefront of these fields. The authors hope that this book will be of assistance to explore new opportunities for collaboration between pharmaceutical science and informatics.
650 0 $a Drugs $x Design. $3 201742
650 0 $a Pharmacology $x Data processing. $3 252145
650 1 4 $a Medicinal Chemistry. $3 275183
650 2 4 $a Pharmacy. $3 218145
650 2 4 $a Cheminformatics. $3 225269
650 2 4 $a Bioinformatics. $3 194415
650 2 4 $a Health Informatics. $3 274212
650 2 4 $a Machine Learning. $3 833608
700 1 $a Funatsu, Kimito. $3 984481
700 1 $a Yamamoto, Hiroshi. $3 984482
710 2 $a SpringerLink (Online service) $3 273601
773 0 $t Springer Nature eBook
856 4 0 $u https://doi.org/10.1007/978-981-97-4828-0
950 $a Medicine (SpringerNature-11650)