The Experts below are selected from a list of 41577 Experts worldwide ranked by ideXlab platform
Stanley S Young - One of the best experts on this subject based on the ideXlab platform.
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powermv a software environment for molecular viewing descriptor generation data analysis and hit evaluation
Journal of Chemical Information and Modeling, 2005Co-Authors: Kejun Liu, Jun Feng, Stanley S YoungAbstract:Ideally, a team of biologists, medicinal Chemists and information specialists will evaluate the hits from high throughput screening. In practice, it often falls to nonmedicinal Chemists to make the initial evaluation of HTS hits. Chemical genetics and high content screening both rely on screening in cells or animals where the biological target may not be known. There is a need to place active compounds into a context to suggest potential biological mechanisms. Our idea is to build an operating environment to help the biologist make the initial evaluation of HTS data. To this end the operating environment provides viewing of compound structure files, computation of basic biologically relevant chemical properties and searching against biologically annotated chemical structure databases. The benefit is to help the nonmedicinal chemist, biologist and statistician put compounds into a potentially informative biological context. Although there are several similar public and private programs used in the pharmaceutical industry to help evaluate hits, these programs are often built for computational Chemists. Our program is designed for use by biologists and statisticians.
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powermv a software environment for molecular viewing descriptor generation data analysis and hit evaluation
Journal of Chemical Information and Modeling, 2005Co-Authors: Jun Feng, Stanley S YoungAbstract:Ideally, a team of biologists, medicinal Chemists and information specialists will evaluate the hits from high throughput screening. In practice, it often falls to nonmedicinal Chemists to make the initial evaluation of HTS hits. Chemical genetics and high content screening both rely on screening in cells or animals where the biological target may not be known. There is a need to place active compounds into a context to suggest potential biological mechanisms. Our idea is to build an operating environment to help the biologist make the initial evaluation of HTS data. To this end the operating environment provides viewing of compound structure files, computation of basic biologically relevant chemical properties and searching against biologically annotated chemical structure databases. The benefit is to help the nonmedicinal chemist, biologist and statistician put compounds into a potentially informative biological context. Although there are several similar public and private programs used in the pharmace...
Axel Jacobi Von Wangelin - One of the best experts on this subject based on the ideXlab platform.
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coming of age sustainable iron catalyzed cross coupling reactions
Chemsuschem, 2009Co-Authors: Waldemar Maximilian Czaplik, Matthias Mayer, Jan Cvengros, Axel Jacobi Von WangelinAbstract:Iron-catalyzed cross-coupling reactions have, over the past years, developed to maturity and today are an integral part of the organic chemist's toolkit. They benefit from low costs, operational simplicity, and high reactivity and thus constitute the "green" sister of the palladium and nickel establishment. This timely Review traces back major achievements, discusses their mechanistic background, and highlights numerous applications to molecular synthesis.Iron-catalyzed carbon-carbon bond-forming reactions have matured to an indispensable class of reactions in organic synthesis. The advent of economically and ecologically attractive iron catalysts in the past years has stepped up the competition with the established palladium and nickel catalyst systems that have dominated the field for more than 30 years, but suffer from high costs, toxicity, and sometimes low reactivity. Iron-catalyzed protocols do not merely benefit from economic advantages but entertain a rich manifold of reactivity patterns and tolerate various functional groups. The past years have witnessed a rapid development with ever-more-efficient protocols for the cross-coupling between alkyl, alkenyl, alkynyl, aryl, and acyl moieties becoming available to organic Chemists. This Review intends to shed light onto the versatility that iron-catalyzed cross-coupling reactions offer, summarize major achievements, and clear the way for further use of such superior methodologies in the synthesis of fine chemicals, bioactive molecules, and materials.
Jun Feng - One of the best experts on this subject based on the ideXlab platform.
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powermv a software environment for molecular viewing descriptor generation data analysis and hit evaluation
Journal of Chemical Information and Modeling, 2005Co-Authors: Kejun Liu, Jun Feng, Stanley S YoungAbstract:Ideally, a team of biologists, medicinal Chemists and information specialists will evaluate the hits from high throughput screening. In practice, it often falls to nonmedicinal Chemists to make the initial evaluation of HTS hits. Chemical genetics and high content screening both rely on screening in cells or animals where the biological target may not be known. There is a need to place active compounds into a context to suggest potential biological mechanisms. Our idea is to build an operating environment to help the biologist make the initial evaluation of HTS data. To this end the operating environment provides viewing of compound structure files, computation of basic biologically relevant chemical properties and searching against biologically annotated chemical structure databases. The benefit is to help the nonmedicinal chemist, biologist and statistician put compounds into a potentially informative biological context. Although there are several similar public and private programs used in the pharmaceutical industry to help evaluate hits, these programs are often built for computational Chemists. Our program is designed for use by biologists and statisticians.
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powermv a software environment for molecular viewing descriptor generation data analysis and hit evaluation
Journal of Chemical Information and Modeling, 2005Co-Authors: Jun Feng, Stanley S YoungAbstract:Ideally, a team of biologists, medicinal Chemists and information specialists will evaluate the hits from high throughput screening. In practice, it often falls to nonmedicinal Chemists to make the initial evaluation of HTS hits. Chemical genetics and high content screening both rely on screening in cells or animals where the biological target may not be known. There is a need to place active compounds into a context to suggest potential biological mechanisms. Our idea is to build an operating environment to help the biologist make the initial evaluation of HTS data. To this end the operating environment provides viewing of compound structure files, computation of basic biologically relevant chemical properties and searching against biologically annotated chemical structure databases. The benefit is to help the nonmedicinal chemist, biologist and statistician put compounds into a potentially informative biological context. Although there are several similar public and private programs used in the pharmace...
Waldemar Maximilian Czaplik - One of the best experts on this subject based on the ideXlab platform.
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coming of age sustainable iron catalyzed cross coupling reactions
Chemsuschem, 2009Co-Authors: Waldemar Maximilian Czaplik, Matthias Mayer, Jan Cvengros, Axel Jacobi Von WangelinAbstract:Iron-catalyzed cross-coupling reactions have, over the past years, developed to maturity and today are an integral part of the organic chemist's toolkit. They benefit from low costs, operational simplicity, and high reactivity and thus constitute the "green" sister of the palladium and nickel establishment. This timely Review traces back major achievements, discusses their mechanistic background, and highlights numerous applications to molecular synthesis.Iron-catalyzed carbon-carbon bond-forming reactions have matured to an indispensable class of reactions in organic synthesis. The advent of economically and ecologically attractive iron catalysts in the past years has stepped up the competition with the established palladium and nickel catalyst systems that have dominated the field for more than 30 years, but suffer from high costs, toxicity, and sometimes low reactivity. Iron-catalyzed protocols do not merely benefit from economic advantages but entertain a rich manifold of reactivity patterns and tolerate various functional groups. The past years have witnessed a rapid development with ever-more-efficient protocols for the cross-coupling between alkyl, alkenyl, alkynyl, aryl, and acyl moieties becoming available to organic Chemists. This Review intends to shed light onto the versatility that iron-catalyzed cross-coupling reactions offer, summarize major achievements, and clear the way for further use of such superior methodologies in the synthesis of fine chemicals, bioactive molecules, and materials.
John A Lowe - One of the best experts on this subject based on the ideXlab platform.
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the role of the medicinal chemist in drug discovery then and now
Nature Reviews Drug Discovery, 2004Co-Authors: Joseph G Lombardino, John A LoweAbstract:The role of the medicinal chemist in drug discovery has undergone major changes in the past 25 years, mainly because of the introduction of technologies such as combinatorial chemistry and structure-based drug design. As medicinal Chemists with more than 50 years of combined experience spanning the past four decades, we discuss this changing role using examples from our own and others' experience. This historical perspective could provide insights in to how to improve the current model for drug discovery by helping the medicinal chemist regain the creative role that contributed to past successes.
