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The Medicinal Chemist's Guide to Solving ADMET Challenges
Medicinal chemistry is a complex science that lies at the very heart of drug discovery. Poor solubility, complex metabolism, tissue retention and slow elimination are just some of the properties of investigational compounds that present a challenge to the design and conduct of ADMET studies. Medicinal chemistry experience and knowledge relating to how a lead structure was modified to solve a specific problem is generally very challenging to retrieve. Presented in a visual and accessible style, this book provides rapid solutions to overcome the universal challenges to optimizing ADMET.
Combinatorial Optimization
This book constitutes the thoroughly refereed post-conference proceedings of the 5th International Symposium on Combinatorial Optimization, ISCO 2018, held in Marrakesh, Marocco, in April 2018. The 35 revised full papers presented in this book were carefully reviewed and selected from 75 submissions. The symposium aims to bring together researchers from all the communities related to combinatorial optimization, including algorithms and complexity, mathematical programming and operations research.
Graph Drawing and Network Visualization
This two-volume set LNCS 14465-14466 constitutes the proceedings of the 31st International Symposium on Graph Drawing and Network Visualization, GD 2023, held in Isola delle Femmine, Palermo, Italy, in September 2023. The 31 full papers, 7 short papers, presented together with 2 invited talks, and one contest report, were thoroughly reviewed and selected from the 100 submissions. The abstracts of 11 posters presented at the conference can be found in the back matter of the volume. The contributions were organized in topical sections as follows: beyond planarity; crossing numbers; linear layouts; geometric aspects; visualization challenges; graph representations; graph decompositions; topological aspects; parameterized complexity for drawings; planar graphs; frameworks; algorithmics.
A Journey Through Discrete Mathematics
This collection of high-quality articles in the field of combinatorics, geometry, algebraic topology and theoretical computer science is a tribute to Jiří Matoušek, who passed away prematurely in March 2015. It is a collaborative effort by his colleagues and friends, who have paid particular attention to clarity of exposition – something Jirka would have approved of. The original research articles, surveys and expository articles, written by leading experts in their respective fields, map Jiří Matoušek’s numerous areas of mathematical interest.
Combinatorial Algorithms
This book constitutes the refereed proceedings of the 33rd International Workshop on Combinatorial Algorithms, IWOCA 2022, which took place as a hybrid event in Trier, Germany, during June 7-9, 2022.The 35 papers presented in these proceedings were carefully reviewed and selected from 86 submissions. They deal with diverse topics related to combinatorial algorithms, such as algorithms and data structures; algorithmic and combinatorical aspects of cryptography and information security; algorithmic game theory and complexity of games; approximation algorithms; complexity theory; combinatorics and graph theory; combinatorial generation, enumeration and counting; combinatorial optimization; combinatorics of words; computational biology; computational geometry; decompositions and combinatorial designs; distributed and network algorithms; experimental combinatorics; fine-grained complexity; graph algorithms and modelling with graphs; graph drawing and graph labelling; network theory and temporal graphs; quantum computing and algorithms for quantum computers; online algorithms; parameterized and exact algorithms; probabilistic andrandomized algorithms; and streaming algorithms.
Directory of Graduate Research
Faculties, publications and doctoral theses in departments or divisions of chemistry, chemical engineering, biochemistry and pharmaceutical and/or medicinal chemistry at universities in the United States and Canada.
