Drug Development Supported by Informatics

Drug Development Supported by Informatics

Funatsu, Kimito; Satoh, Hiroko; Yamamoto, Hiroshi

Springer Verlag, Singapore

12/2024

371

Dura

9789819748273

Pré-lançamento - envio 15 a 20 dias após a sua edição

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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.
Chemoinformatics;Bioinformatics;Materials informatics;Clinical informatics;Artificial Intelligence