A comprehensive look at empirical approaches to moleculardiscovery, their relationships with rational design, and the futureof bothEmpirical methods of discovery, along with serendipitous andrational design approaches, have played an important role in hum
Searching for Molecular Solutions:Empirical Discovery and Its Future Ian S. Dunn
This comprehensive overview of the application of artificial intelligence methods (AI) in chemistry contains an in-depth summary of the most interesting achievements of modern AI, namely, problem-solving in molecular structure elucidation and in syntheses design. The book provides a brief history of AI as a branch of computer science. It also gives an overview of the basic methods employed for searching the solution space (thoroughly exemplified by chemical problems), together with a profound and expert discussion on many questions that may be raised by modern chemists wishing to apply computer-assisted methods in their own research. Moreover, it includes a survey of the most important literature references, covering all essential research in automated interpretation of molecular spectra to elucidate a structure and in syntheses design. A glossary of basic terms from computer technology for chemists is appended. This book is intended to make the emerging field of artificial intelligence understandable and accessible for chemists, who are not trained in computer methods for solving chemical problems. The author discusses step-by-step basic algorithms for structure elucidation and many aspects of the automated design of organic syntheses in order to integrate this fascinating technology into current chemical knowledge.
Consumed by her pursuit of a Theory of Everything, a brilliant California scientist struggles to deal with life in and outside the lab Doctor Esme Charbonneau Tallich´s passion is cosmology, the science of the origin of the universe; specifically, she is searching for a TOE, or a Theory of Everything. Esme is a feminist maverick, a rogue thinker. Hired as a professor of molecular biology at the University of Greater California, she prefers the ´´bench science´´ of organic chemistry at one extreme and ´´walking out into space´´ at the other. Her marriage to a TV director and aspiring stand-up comedian is rocky. Esme´s five-year-old daughter, Ollie, the sun in her galaxy, seems an enigma. Too readily diagnosed by professionals as ´´challenged´´, even possibly autistic, she is, like Esme, a renegade thinker and creative mind. Her use of language is poetic, not deficit driven or conventional. As her marriage dissolves, Esme´s struggle to maintain custody of Ollie and autonomy for herself and her work is set against the backdrop of the beckoning cosmos. Her tantalizing closeness to discovery of a grand unified theory - as psychiatric professionals, lawyers, and Esme´s estranged husband also close in on Ollie, seeking to medicate and restructure her - heightens tension while also offering hope. The discovery that Esme seeks is twofold: enlightenment and equilibrium in the troubled universes of her personal and professional lives. Saving St. Germ is a provocative, dramatic look at a single mother´s life at the edge of the universe - and the center of the human heart. ungekürzt. Language: English. Narrator: Jennifer Woodward. Audio sample: http://samples.audible.de/bk/adbl/017596de/bk_rhde_002536_sample.mp3. Digital audiobook in aax.
Advances in Pathobiology and Management of Pagets Disease of Bone presents an essential collection of up-to-date knowledge about the pathophysiology, genetics, and treatment of Pagets disease. It covers the comprehensive information related to clinical perspectives, epidemiology, genetics, environmental factors such as viral etiology, molecular abnormalities, complications such as osteosarcoma, and current and future treatment for Pagets disease. This book serves as a useful volume for basic scientists, graduate students, and practicing clinicians in understanding the pathobiology, etiology, and treatment of this disease. Discusses the current research of the nature of Pagets disease and its response to the latest treatments which are seminal in the management of this disease Helps users quickly assess the very latest details on the diverse scientific and clinical aspects of Pagets disease, as opposed to searching through multiple journal articles in the literature Presents work from featured leaders in Pagets disease around the globe Serves as a useful volume for basic scientists, graduate students, and practicing clinicians in understanding the pathobiology, etiology, and treatment of this disease
This volume focuses on contributions from both the mathematics and life science community surrounding the concepts of time and dynamicity of nature, two significant elements which are often overlooked in modeling process to avoid exponential computations. The book is divided into three distinct parts: dynamics of genomes and genetic variation, dynamics of motifs, and dynamics of biological networks. Chapters included in dynamics of genomes and genetic variation analyze the molecular mechanisms and evolutionary processes that shape the structure and function of genomes and those that govern genome dynamics. The dynamics of motifs portion of the volume provides an overview of current methods for motif searching in DNA, RNA and proteins, a key process to discover emergent properties of cells, tissues, and organisms. The part devoted to the dynamics of biological networks covers networks aptly discusses networks in complex biological functions and activities that interpret processes in cells. Moreover, chapters in this section examine several mathematical models and algorithms available for integration, analysis, and characterization. Once life scientists began to produce experimental data at an unprecedented pace, it become clear that mathematical models were necessary to interpret data, to structure information with the aim to unveil biological mechanisms, discover results, and make predictions. The second annual Bringing Maths to Life workshop held in Naples, Italy October 2015, enabled a bi-directional flow of ideas from and international group of mathematicians and biologists. The venue allowed mathematicians to introduce novel algorithms, methods, and software that may be useful to model aspects of life science, and life scientists posed new challenges for mathematicians. Alessandra Rogato is researcher at Institute of Bioscience and BioResources of the Italian National Research Council (CNR). Her research interests have been progressively enriched by the different research experiences she had working in different research Institutes: at the Institute of Genetics and Biophysics Adriano Buzzati-Traverso (CNR) in Naples Italy during her PhD studies and, after at the Stazione Zoologica A. Dhorn of Naples in Italy for her post-doc; and in Paris, France, as young investigator at Laboratoire de Génomique des Microorganismes UMR 7238 CNRS-UPMC, and shorter working experiences at the Department of Genetics and Experimental Bioinformatics at University of Freiburg, Germany and at the Weizmann Institute of Science in Rehovor, Israel. Major objective of her research interests is to decipher the molecular secrets underlying the ecological success of living photosyntetic organisms (plants and marine microalgae) and their capacity for handling different adaptive solutions in order to succeed in a variable environment. In paricular her research interests is to fully exploit novel genetic tools and genomic information to identify the mechanisms controlling marine diatom growth and distribution in the marine environment. Valeria Zazzu - From 2013 until 2015, CNR Researcher at Institute of Genetics and Biophysics (IGB) ABT in Naples, Italy, involved in the project New markers identifying dementia: a multidisciplinary approach, aiming at cross-linking dementia with neurodegenerative processes.From 2011 until 2012, member of the leading scientific coordination team for the IT Future of Medicine initiative, focussed on personalised medicine, one of the EU FET flagship pilot projects launched by the European Commission, at the Max Planck Institute for Molecular Genetics, Berlin, Germany.In 2011 PhD degree in Molecular Biology, Humboldt University, Berlin, Germany. Thesis title The human G protein-coupled receptor GPR30: interaction partners and expression analysis in endothelial cells.From 2006 until 2011, with a Marie Curie PhD fellowship, PhD student in the laboratory of Prof. Ruiz Noppinger at the Center for Cardiovascular Research, Charité - Universitätsmedizin (Berlin, Germany).In 2004 Master of Science in Biology, University of Naples Federico II, Naples, Italy. Thesis title: Functional characterisation of a novel protein interacting with the onco-protein Bcl-XL. Mario Guarracino is researcher at High Performance Computing and Networking Institute of the Italian National Research Council. He received a PhD in Mathematics defending a thesis on projection techniques for parallel sparse linear algebra and an Ms in Applied