01744nam a22002057a 4500 20250515152032.0 250507b |||||||| |||| 00| 0 eng d 9783031762895 Samyak Vidyasagar 15/05/2025 BOS-000489 ; Ghaziabad Uttar Pradesh-201012 572.80 SUK N Sukumar Navigating Molecular Networks \N Sukumar Switzerland :Springer Nature ,2025 114 Pages ;23 cm 3524 This book delves into the foundational principles governing the treatment of molecular networks and "chemical space"--the comprehensive domain encompassing all physically achievable molecules--from the perspectives of vector space, graph theory, and data science. It explores similarity kernels, network measures, spectral graph theory, and random matrix theory, weaving intriguing connections between these diverse subjects. Notably, it emphasizes the visualization of molecular networks. The exploration continues by delving into contemporary generative deep learning models, increasingly pivotal in the pursuit of new materials possessing specific properties, showcasing some of the most compelling advancements in this field. Concluding with a discussion on the meanings of discovery, creativity, and the role of artificial intelligence (AI) therein. Its primary audience comprises senior undergraduate and graduate students specializing in physics, chemistry, and materials science. Additionally, it caters to those interested in the potential transformation of material discovery through computational, network, AI, and machine learning (ML) methodologies. Physics ;Molecular Networks BOOK 63000 63000 0 0 ddc 0 0 SNUL SNUL 2025-05-07 Samyak Vidyasagar 0 572.80 SUK 30879 2025-05-07 00:00:00 2025-05-07 BOOK