標(biāo)題: Titlebook: An Introduction to Chemoinformatics; Andrew R. Leach,Valerie J. Gillet Textbook 2007 Springer Science+Business Media B.V. 2007 chemical st [打印本頁] 作者: 新石器時(shí)代 時(shí)間: 2025-3-21 16:07
書目名稱An Introduction to Chemoinformatics影響因子(影響力)
書目名稱An Introduction to Chemoinformatics影響因子(影響力)學(xué)科排名
書目名稱An Introduction to Chemoinformatics網(wǎng)絡(luò)公開度
書目名稱An Introduction to Chemoinformatics網(wǎng)絡(luò)公開度學(xué)科排名
書目名稱An Introduction to Chemoinformatics被引頻次
書目名稱An Introduction to Chemoinformatics被引頻次學(xué)科排名
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書目名稱An Introduction to Chemoinformatics讀者反饋
書目名稱An Introduction to Chemoinformatics讀者反饋學(xué)科排名
作者: depreciate 時(shí)間: 2025-3-21 21:02
Representation And Manipulation Of 3d Molecular Structures, considered to constitute the “natural language” of organic chemistry. However, they only indicate which atoms are bonded together. The steric and electronic properties of a molecule depend on how its atoms can be positioned in space to produce its 3D structures or .. There has thus been much intere作者: 蚊帳 時(shí)間: 2025-3-22 02:48 作者: 新字 時(shí)間: 2025-3-22 04:57 作者: Mortal 時(shí)間: 2025-3-22 10:13
Similarity Methods,s of interest. These approaches are clearly very useful ways to select compounds but they do have some limitations. First, one requires sufficient knowledge to be able to construct a meaningful substructure or 3D pharmacophore. However, this knowledge may not always be available if, for example, onl作者: Incommensurate 時(shí)間: 2025-3-22 16:12 作者: Invertebrate 時(shí)間: 2025-3-22 20:45 作者: 小歌劇 時(shí)間: 2025-3-22 23:58 作者: 狼群 時(shí)間: 2025-3-23 02:08
Die Grundgesetze der klassischen Mechanik,The rationale for selecting diverse subsets of compounds lies in the similar property principle introduced in作者: 過份 時(shí)間: 2025-3-23 08:05 作者: Brocas-Area 時(shí)間: 2025-3-23 11:18
Virtual Screening,ructures using one or more computational procedures. Virtual screening is used, for example, to help decide which compounds to screen, which libraries to synthesise and which compounds to purchase from an external company. It may also be employed when analysing the results of an experiment, such as a HTS run.作者: 懶惰人民 時(shí)間: 2025-3-23 15:20
Andrew R. Leach,Valerie J. GilletAims to provide an introduction to the major techniques of chemoinformatics.Includes supplementary material: 作者: Brittle 時(shí)間: 2025-3-23 18:31 作者: restrain 時(shí)間: 2025-3-24 02:01
Die Grundgesetze der Elektrodynamik,ructures using one or more computational procedures. Virtual screening is used, for example, to help decide which compounds to screen, which libraries to synthesise and which compounds to purchase from an external company. It may also be employed when analysing the results of an experiment, such as a HTS run.作者: Nebulous 時(shí)間: 2025-3-24 04:50
https://doi.org/10.1007/978-1-4020-6291-9chemical structure; chemistry; chemoinformatics; computational chemistry; structure作者: GEAR 時(shí)間: 2025-3-24 07:18 作者: 花束 時(shí)間: 2025-3-24 14:14 作者: 獨(dú)特性 時(shí)間: 2025-3-24 17:24 作者: 削減 時(shí)間: 2025-3-24 21:54
https://doi.org/10.1007/978-3-642-55459-9 represent properties of whole molecules such as log . and molar refractivity; descriptors that can be calculated from 2D graph representations of structures such as topological indices and 2D fingerprints; and descriptors such as pharmacophore keys that require 3D representations of structures. We 作者: 教唆 時(shí)間: 2025-3-25 01:51 作者: 情感 時(shí)間: 2025-3-25 07:05 作者: 真 時(shí)間: 2025-3-25 07:34 作者: Small-Intestine 時(shí)間: 2025-3-25 13:08
Die Grundgesetze der Elektrodynamik,ructures using one or more computational procedures. Virtual screening is used, for example, to help decide which compounds to screen, which libraries to synthesise and which compounds to purchase from an external company. It may also be employed when analysing the results of an experiment, such as 作者: SCORE 時(shí)間: 2025-3-25 15:54
Die Relativit?tstheorie Einsteinssynthesis [Terrett 1998; Lebl 1999]. These methods range from complex robots designed for the synthesis of large combinatorial libraries to “l(fā)ow-tech” equipment that enables basic functions such as heating or separation to be applied to a small number of samples. The common feature of these techniqu作者: 處理 時(shí)間: 2025-3-25 21:08
chniques from many disciplines including computer science, mathematics, computational chemistry and data visualisation to tackle these problems. ..This, the first text written specifically for this field, aims to provide an introduction to the major techniques of chemoinformatics. The first part of 作者: EXULT 時(shí)間: 2025-3-26 00:40 作者: 增長 時(shí)間: 2025-3-26 07:17
Representation And Manipulation Of 3d Molecular Structures,ctronic properties of a molecule depend on how its atoms can be positioned in space to produce its 3D structures or .. There has thus been much interest in the development of algorithms and database systems that deal with 3D representations of molecules and their conformationally dependent properties.作者: Fortify 時(shí)間: 2025-3-26 11:40 作者: 誰在削木頭 時(shí)間: 2025-3-26 14:18 作者: 和平 時(shí)間: 2025-3-26 17:34
Textbook 2007to tackle these problems. ..This, the first text written specifically for this field, aims to provide an introduction to the major techniques of chemoinformatics. The first part of the book deals with the representation of 2D and 3D molecular structures, the calculation of molecular descriptors and 作者: MOCK 時(shí)間: 2025-3-27 00:06 作者: 否決 時(shí)間: 2025-3-27 02:16
Die Relativit?tstheorie Einsteins rate at which new chemical entities can be made. The early work in combinatorial chemistry was driven by the needs of the pharmaceutical industry, but there is now much interest in automated synthesis techniques in other areas of chemistry such as materials science [Xiang et al. 1995; Danielson et al. 1997].作者: stress-response 時(shí)間: 2025-3-27 06:53 作者: 可觸知 時(shí)間: 2025-3-27 09:58
Combinatorial Chemistry And Library Design, rate at which new chemical entities can be made. The early work in combinatorial chemistry was driven by the needs of the pharmaceutical industry, but there is now much interest in automated synthesis techniques in other areas of chemistry such as materials science [Xiang et al. 1995; Danielson et al. 1997].作者: 暴露他抗議 時(shí)間: 2025-3-27 14:10 作者: Lumbar-Stenosis 時(shí)間: 2025-3-27 20:24 作者: abracadabra 時(shí)間: 2025-3-27 22:29
Die Grundgesetze der Elektrodynamik,sks such as substructure searching are considered, including the use of graph theoretic methods, bitstring screens and the use of canonical structure representations. Finally, we give a brief overview of reaction databases and the use of Markush representations in chemical patents. The focus of this作者: Osteoarthritis 時(shí)間: 2025-3-28 03:30
https://doi.org/10.1007/978-3-642-55459-9 Chapter 7 (note that many of the techniques discussed there can also be applied to small data sets).We will consider the use of simple and multiple linear regression for the derivation of QSAR models, including a discussion of the techniques that can be used to confirm the validity of such models. 作者: 頭盔 時(shí)間: 2025-3-28 08:56 作者: Gingivitis 時(shí)間: 2025-3-28 11:01 作者: correspondent 時(shí)間: 2025-3-28 15:20
Computational Models, Chapter 7 (note that many of the techniques discussed there can also be applied to small data sets).We will consider the use of simple and multiple linear regression for the derivation of QSAR models, including a discussion of the techniques that can be used to confirm the validity of such models. 作者: 信任 時(shí)間: 2025-3-28 22:39
Analysis Of High-Throughput Screening Data,he rate of reaction by 50%). Depending on the numbers involved, these assays may be performed using predissolved liquid samples; to provide final confirmation a dose-response curve is determined from a solid sample whose purity is also checked. If the sample is pure and the compound is deemed to be
