Computational and data-driven chemistry using artificial intelligence. Fundamentals, methods and applications / Volume 1, (2021)

• Record Type: Book
• Other Titles: Fundamentals, methods and applications
• Further Information: Note: Edited by Takashiro Akitsu.
• Editors: Akitsu, Takashiro
• Contents: Introduction to Computational and Data-Driven Chemistry Using AI Goal-directed generation of new molecules by AI methods Compounds based on structural database of X-ray crystallography Approaches using AI in Medicinal Chemistry Application of Machine learning algorithms for use in material chemistry Predicting Conformers of Flexible Metal Complexes using Deep Neural Network Predicting Activity and Activation Factor of Catalytic Reactions Using Machine Learning Convolutional Neural Networks for the Design and Analysis of Non-Fullerene Acceptors
• Publisher Details: Amsterdam : Elsevier
• Publication Date: 2021
• Extent: 1 online resource, illustrations
• Subjects: 542.8563; Chemistry -- Data processing; Artificial intelligence
• Languages: English
• ISBNs: 9780128232729
• Related ISBNs: 9780128222492
• Notes: Note: Description based on CIP data; resource not viewed.
• Access Rights: Legal Deposit; Only available on premises controlled by the deposit library and to one user at any one time; The Legal Deposit Libraries (Non-Print Works) Regulations (UK).
• Access Usage: Restricted: Printing from this resource is governed by The Legal Deposit Libraries (Non-Print Works) Regulations (UK) and UK copyright law currently in force.