Chemoinformatics: Theory, Practice, & Products

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Most widely held works about Guillermo Morales Matos. Most widely held works by Guillermo Morales Matos. Chemoinformatics is broadly defined as the use of information technology to assist in the acquisition, analysis and management of data and information relating to chemical compounds and their properties. This includes molecular modelling, reactions, spectra and structure-activity relationships associated with chemicals.

Computational scientists, chemists, and biologists all rely on the rapidly evolving field of Chemoinformatics. There has been an explosion of new Chemoinformatics tools and techniques and each technique has its own utility, scope, and limitations, as well as meeting resistance to use by experimentalists.

La Universidad del siglo XXI y su impacto social 3 editions published in in Spanish and held by 13 WorldCat member libraries worldwide. Islas Canarias : territorio y sociedad by Guillermo Morales Matos Book 3 editions published in in Spanish and held by 11 WorldCat member libraries worldwide.

Industria y espacio urbano en Aviles by Guillermo Morales Matos Book 5 editions published in in Spanish and Undetermined and held by 9 WorldCat member libraries worldwide. Asturias Book 3 editions published in in Spanish and held by 5 WorldCat member libraries worldwide. Bunin led a team that integrated exhaustive reaction capture synthetic chemistry with gene-family wide SAR capture medicinal chemistry.

More Books by Barry A. Bunin, Brian Siesel, Guillermo Morales & Jürgen Bajorath

In the lab, Dr. Bunin received his B.

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Sylvia Ernst, Ph. Ernst received her Ph. Wolfgang Kaim. At that time her research focused on using computational chemistry to find new catalysts for exploiting energy from sunlight. She has over 20 scientific publications. She joined CDD in Sylvia's extensive work with many pharmaceutical and biotech companies as well as academic and government institutions spans the globe, giving her a unique perspective on how the drug discovery and development process is evolving, and how new approaches may impact world health.

She joined CDD because she believes that the best response to emerging global health crises is to foster collaborations that join the world's enormous research capabilities into unified efforts. He has a degree in Chemical Engineering with an emphasis in biotechnology from Tufts University. Kellan was co-author in an HIV study with Dr. Paul A. Volberding, and interned with BioRad and Libraria.

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He has not written two books and founded two companies like Barry Bunin, PhD. But you know what? If you want a product expert with the most experience using data and databases, the strongest people skills and the ability to tell you straight up what will and will not work, Kellan Gregory — with his growing team of specialists in the product group — is your best collaborator.

Kellan also creates practical specifications for our product enhancements by prioritizing thousands of requests from hundreds of CDD customers. She rose through the ranks at Accelrys from responsibilities for support to informatics applications to Chemoinformatics Software Product-Marketing Manager to Senior Product Manager for their complete product line including data content and software. Mariana has a flair for cooking and knows which way the wind is blowing.

Her PhD is in Chemistry.

Krishna Dole has a decade of experience creating collaborative scientific software. He has developed software for drug discovery, population biology, geomorphology and phylogenetics. Prior to joining CDD in , he coauthored mx, an open source biodiversity informatics application that remains under active use and development. On the software side, he has been working with the Ruby on Rails framework for over 6 years, and has published a plugin and submitted bugfixes to Rails itself.

Like all of CDD's software developers he is an enthusiastic user of automated testing, the agile process, and behavior driven development. At CDD he draws on his broad experience to guide the design and implementation of scientific features.

Alex Clark has been building cheminformatics and computational drug discovery software products since the early 's, after spending a decade learning to be a scientist the hard way: running reactions at the lab bench. Since switching to informatics full time, he has worked on most areas of contemporary chemistry software, whether it be 2D or 3D, large scale cheminformatics or small scale quantum chemistry , big molecules proteins or small molecules drugs. He has a persistent interest in the interface between scientists and software, which continues to challenge our industry, and has done much work on visualization techniques, electronic lab notebooks, and reimagining traditional software for new platforms like mobile, cloud and web.

Chemoinformatics Theory Practice Products – Free Online Books

He publishes regularly in the scientific literature, and has maintained a large number of collaborations since becoming an entrepreneur in Whenever he is not working on projects for CDD, he continues to maintain his own company, Molecular Materials Informatics, relentlessly experimenting with all manner of future-oriented chemistry software ideas, methods and products.

Alex completed his doctorate at the University of Auckland, New Zealand, in , and subsequently relocated to North America. He attributes his extreme customer dedication to two things. First, he is a true Southern gentleman who cares greatly about other people. Charlie has over two decades of experience working with industry-leading scientific software companies such as MDL dating back to ISIS version 0.

He has traveled extensively installing software, providing training, and leading workshops at customer sites and conferences. Customers throughout the world including Japan, Australia, Great Britain, France, New Jersey, and Illinois have been known to alter their schedules to match Charlie's availability for visiting their sites. Charlie is looking forward to being the best customer advocate and trusted advisor for the CDD community.

Before joining CDD Frank had been with leading drug discovery informatics companies, such as Dotmatics, Cambridgesoft, and MDL where he worked in sales and account management functions. With his winning attitude, Frank strives to make any situation positive for contacts and customers in our marketspace. His philosophy is rooted in his integrity and to treat customers with great respect as if you had just invited them into your home.

Frank has indeed found a home at CDD due to the can-do attitude his colleagues live by and the inspiringly positive words coming from the mouths of our scientific customer community. Prior to Genentech, Dr. Blaney obtained his Ph. Blaney has many years of experience in industrial drug discovery research, focusing on structure-based design, high-throughput docking, combinatorial library design, and chemical informatics.

Chemoinformatics: Theory, Practice, & Products

Henry W. Johnson is a senior member of the medicinal chemistry team at Onyx Pharmaceuticals, Inc. Prior to joining Onyx, he served as a research scientist at Exelixis, Inc. During his time there he contributed to several drug discovery programs and he was a primary contributor in the development of four small molecules which entered the clinic. He obtained his Ph.

He earned his B. Johnson is an author on more than 40 scientific publications and patents. In his current role, he utilizes CDD as a tool to promote a collaborative, nimble, and hypothesis-driven culture. She brings 22 years of experience in biopharmaceutical drug discovery and development, and is a co-author of 40 publications and over a dozen patents.

From to , Dr. Jarvis worked at SomaLogic as Director of Technology Development part-time , and led a structural biology program to characterize modified DNA aptamers with diverse therapeutic and diagnostic applications. Before joining SomaLogic, Dr. Jarvis was Senior Director of Biochemistry at Replidyne , where she played an integral role in multiple antibacterial drug discovery projects, and contributed to both IND and NDA regulatory filings. Her group was responsible for high throughput target-based screening for antibacterial drug leads, and structural and mechanistic characterization of enzyme inhibitors.

In early , Dr.

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At RPI, Dr. Jarvis led discovery efforts for oligonucleotide-based therapeutics in the areas of oncology, arthritis, cardiovascular disease and virology, resulting in two programs that progressed into clinical development. She also served as project leader and scientific liaison for several projects with corporate partners. As a research scientist at Synergen , Dr.

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Jarvis worked on engineering protein-based therapeutics for inflammatory diseases. He received his B. While at Pfizer, Dr. Over the course of his Pfizer career,. Daniel A. Erlanson is the co-founder and President of Carmot Therapeutics, Inc. Using a proprietary technology called Chemotype Evolution, Carmot is addressing unmet chemical needs in drug discovery to tackle challenging therapeutic targets. Prior to Carmot, Dr.

Wells at Genentech. Erlanson earned his Ph. Verdine, where he used chemical, biochemical, and biophysical methods to characterize the interactions between proteins and DNA. He earned his BA in chemistry from Carleton College. As well as co-editing the first book on fragment-based drug discovery, Dr. Erlanson is an author or inventor on more than forty scientific publications and issued patents.

Erlanson also edits a blog devoted to fragment-based drug discovery, Practical Fragments. He has been a satisfied user of CDD since Alph Bingham, Ph. He is co-founder, and former president and chief executive officer of InnoCentive Inc. He was instrumental in creating and developing Eli Lilly's portfolio management process as well as establishing the divisions of Research Acquisitions, the Office of Alliance Management and e.

Lilly, a business innovation unit that incubated a wide range of new ventures that exploit open networks,including: InnoCentive, YourEncore, Inc. Bingham currently participates in the Monitor Talent speaker network. Alph received a B. Peter Cohan has over 20 years in senior management, business development, sales, and marketing roles. In , he joined Symyx Technologies, Inc.

Chemoinformatics: Theory, Practice, & Products Chemoinformatics: Theory, Practice, & Products
Chemoinformatics: Theory, Practice, & Products Chemoinformatics: Theory, Practice, & Products
Chemoinformatics: Theory, Practice, & Products Chemoinformatics: Theory, Practice, & Products
Chemoinformatics: Theory, Practice, & Products Chemoinformatics: Theory, Practice, & Products
Chemoinformatics: Theory, Practice, & Products Chemoinformatics: Theory, Practice, & Products

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