Download or read book Pattern Recognition Applications in Chemistry and Pharmacology written by William Sacco and published by . This book was released on 1977 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Pattern Recognition Applications in Chemistry and Pharmacology A Pharmacophore Acetylcholinoreceptor Subunit Environment Model written by William P. Ashman and published by . This book was released on 1980 with total page 15 pages. Available in PDF, EPUB and Kindle. Book excerpt: In the analysis of a compound's structure for the prediction of its resultant pharmacological activity, the ultimate goal of the researcher is the explanation of the physiological mechanisms and compound interactions involved from the moment the drug is administered until the time it completes its effect. Having this knowledge, the researcher can then design compounds producing the efficacious-ness desired. With this objective, investigators at the Research Division, Chemical Systems Laboratory, APG, MD have conducted chemical structure-biological activity relationship (SAR) studies (1) on various classes of compounds whose pharmacological actions 'in vivo' are directly related to the cholinergic system. The studies have included toxicity, cholinolytic and cholinomimetic activity, and the medicalprophylactic and/or therapeutic efficacy of compounds or mixtures of compounds against anticholinesterase poisoning. (Author).
Download or read book Pattern Recognition Applications in Chemistry and Pharmacology III Clustering of Substituted Glycolic Acid Esters Glycolates written by William J. Sacco and published by . This book was released on 1978 with total page 17 pages. Available in PDF, EPUB and Kindle. Book excerpt: A computerized pseudoclustering algorithm (SIMP) was written and applied to 12 chemical structure descriptors (features) which, on the basis of expert opinion, are required for substituted glycolic acid esters (glycolates) to have some type of physiological activity. The resulting clusters were then input to an algorithm (DISP) written to determine histograms of safety ratios (LP50/MED50) at specified levels and the overlap or confusion probability(Cp) between the histograms of the clusters and the general glycolate data base. Employing the results obtained from the SIMP and DISP programs a decision rule was devised which classified 421 glycolates at one of two levels of activity. The misclassification rate was 21% as compared to an expected rate of 39% based on random sampling. Similar results were obtained with respect to discriminating glycolates at one of two toxicity levels. The methodology appears general and applicable to any chemopharmacological structure-activity problem. (Author).
Download or read book Chemometrics for Pattern Recognition written by Richard G. Brereton and published by John Wiley & Sons. This book was released on 2009-09-28 with total page 532 pages. Available in PDF, EPUB and Kindle. Book excerpt: Over the past decade, pattern recognition has been one of the fastest growth points in chemometrics. This has been catalysed by the increase in capabilities of automated instruments such as LCMS, GCMS, and NMR, to name a few, to obtain large quantities of data, and, in parallel, the significant growth in applications especially in biomedical analytical chemical measurements of extracts from humans and animals, together with the increased capabilities of desktop computing. The interpretation of such multivariate datasets has required the application and development of new chemometric techniques such as pattern recognition, the focus of this work. Included within the text are: ‘Real world’ pattern recognition case studies from a wide variety of sources including biology, medicine, materials, pharmaceuticals, food, forensics and environmental science; Discussions of methods, many of which are also common in biology, biological analytical chemistry and machine learning; Common tools such as Partial Least Squares and Principal Components Analysis, as well as those that are rarely used in chemometrics such as Self Organising Maps and Support Vector Machines; Representation in full colour; Validation of models and hypothesis testing, and the underlying motivation of the methods, including how to avoid some common pitfalls. Relevant to active chemometricians and analytical scientists in industry, academia and government establishments as well as those involved in applying statistics and computational pattern recognition.
Download or read book Technical Abstract Bulletin written by and published by . This book was released on 1979 with total page 108 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Proceedings of the Workshop on Chemical Applications of Pattern Recognition Washington D C May 1 2 1975 written by and published by . This book was released on 1976 with total page 136 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Chemical Applications of Pattern Recognition written by Peter C. Jurs and published by Wiley-Interscience. This book was released on 1975 with total page 200 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Proceedings of the 1995 ERDEC Scientific Conference on Chemical and Biological Defense Research 14 17 November 1995 written by and published by . This book was released on 1996 with total page 1084 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Proceedings of the 1980 Army Science Conference written by and published by . This book was released on 1980 with total page 548 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Pesticides Abstracts written by and published by . This book was released on 1978 with total page 952 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Drug Design written by E. J. Ariëns and published by Elsevier. This book was released on 2013-10-22 with total page 441 pages. Available in PDF, EPUB and Kindle. Book excerpt: Drug Design, Volume VIII covers a critical review and new extensions of quantitative methods in drug design, the design of particular types of agents, such as synthetic sweeteners, and selective ion binding compounds. The book discusses the advances in the methodology of quantitative drug design; the application of pattern recognition to drug design; and the design of controlled drug delivery systems. The text also describes the use of receptor binding as a tool in the development of new bioactive steroids; the design of synthetic sweeteners; and the prospective assessment of environmental effects of chemicals. The design of selective ion binding macrocyclic compounds and their biological applications are also encompassed. Chemists, pharmacologists, biochemists, and people involved in drug design and manufacture will find the book invaluable.
Download or read book Cheminformatics and its Applications written by Amalia Stefaniu and published by BoD – Books on Demand. This book was released on 2020-07-15 with total page 192 pages. Available in PDF, EPUB and Kindle. Book excerpt: Cheminformatics has emerged as an applied branch of Chemistry that involves multidisciplinary knowledge, connecting related fields such as chemistry, computer science, biology, pharmacology, physics, and mathematical statistics.The book is organized in two sections, including multiple aspects related to advances in the development of informatic tools and their specific use in compound structure databases with various applications in life sciences, mainly in medicinal chemistry, for identification and development of new therapeutically active molecules. The book covers aspects related to genomic analysis, semantic similarity, chemometrics, pattern recognition techniques, chemical reactivity prediction, drug-likeness assessment, bioavailability, biological target recognition, machine-based drug discovery and design. Results from various computational tools and methods are discussed in the context of new compound design and development, sharing promising opportunities, and perspectives.
Download or read book Chemical Pattern Recognition written by Oldřich Štrouf and published by Wiley-Blackwell. This book was released on 1986 with total page 234 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Structural Correlates of Carcinogenesis and Mutagenesis written by Irvin M. Asher and published by . This book was released on 1978 with total page 252 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Artificial Intelligence for Drug Product Lifecycle Applications written by Alberto Pais and published by Elsevier. This book was released on 2024-09-20 with total page 298 pages. Available in PDF, EPUB and Kindle. Book excerpt: Artificial Intelligence for Drug Product Lifecycle Applications explains the use of artificial intelligence (AI) in drug discovery and development paths, including the clinical and postapproval phases. This book gives methods for each of the drug development steps, from the fundamentals to postapproval drug product. AI is a synergistic assembly of enhanced optimization strategies with particular applications in pharmaceutical development and advanced tools for promoting cost-effectiveness throughout the drug lifecycle. Specifically, AI brings together the potential to improve drug approval rates, reduce development costs, get medications to patients faster, and help patients comply with their treatments. Accelerated pharmaceutical development and drug product approval rates will enable larger profits from patent-protected market exclusivity. This book offers the tools and knowledge to create the right AI strategy to extend the landscape of AI applications across the drug lifecycle. It is especially useful for pharmaceutical scientists, health care professionals, and regulatory scientists, as well as advanced students and postgraduates actively involved in pharmaceutical product and process development involving the use of artificial intelligence in drug delivery applications. Classifies AI methodologies and application examples into different categories representing the various steps of the drug development cycle Combines timely literature review with clear artworks to improve understanding Examines deep learning and machine learning in drug discovery
Download or read book Pattern Recognition Approach to Data Interpretation written by Diane Wolff and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 226 pages. Available in PDF, EPUB and Kindle. Book excerpt: An attempt is made in this book to give scientists a detailed working knowledge of the powerful mathematical tools available to aid in data interpretation, especially when con fronted with large data sets incorporating many parameters. A minimal amount of com puter knowledge is necessary for successful applications, and we have tried conscien tiously to provide this in the appropriate sections and references. Scientific data are now being produced at rates not believed possible ten years ago. A major goal in any sci entific investigation should be to obtain a critical evaluation of the data generated in a set of experiments in order to extract whatever useful scientific information may be present. Very often, the large number of measurements present in the data set does not make this an easy task. The goals of this book are thus fourfold. The first is to create a useful reference on the applications of these statistical pattern recognition methods to the sciences. The majority of our discussions center around the fields of chemistry, geology, environmen tal sciences, physics, and the biological and medical sciences. In Chapter IV a section is devoted to each of these fields. Since the applications of pattern recognition tech niques are essentially unlimited, restricted only by the outer limitations of.
Download or read book Drug Design using Machine Learning written by Inamuddin and published by John Wiley & Sons. This book was released on 2022-11-15 with total page 388 pages. Available in PDF, EPUB and Kindle. Book excerpt: DRUG DESIGN USING MACHINE LEARNING The use of machine learning algorithms in drug discovery has accelerated in recent years and this book provides an in-depth overview of the still-evolving field. The objective of this book is to bring together several chapters that function as an overview of the use of machine learning and artificial intelligence applied to drug development. The initial chapters discuss drug-target interactions through machine learning for improving drug delivery, healthcare, and medical systems. Further chapters also provide topics on drug repurposing through machine learning, drug designing, and ultimately discuss drug combinations prescribed for patients with multiple or complex ailments. This excellent overview Provides a broad synopsis of machine learning and artificial intelligence applications to the advancement of drugs; Details the use of molecular recognition for drug development through various mathematical models; Highlights classical as well as machine learning-based approaches to study target-drug interactions in the field of drug discovery; Explores computer-aided technics for prediction of drug effectiveness and toxicity. Audience The book will be useful for information technology professionals, pharmaceutical industry workers, engineers, university researchers, medical practitioners, and laboratory workers who have a keen interest in the area of machine learning and artificial intelligence approaches applied to drug advancements.
