由化学空间的视觉表现驱动的艺术
Daniela Gaytán-Hernández1, Ana L Chávez-Hernández1, Edgar López-López1,2
1DIFACQUIM Research Group, Department of Pharmacy, School of Chemistry, Universidad Nacional Autónoma de México, Avenida Universidad 3000, 04510, Mexico City, Mexico.
Journal of cheminformatics
|October 21, 2023
概括
这项研究通过将化学空间视为数字艺术来将化学信息学和艺术融合在一起. 这些可视化分享化学知识,并作为化学信息学的教育工具.
科学领域:
- 跨学科的科学桥梁化学,计算机科学和艺术.
- 专注于化学信息学和计算化学应用.
背景情况:
- 化学信息学利用化学空间的概念来表示化学结构.
- 化学空间可视化有助于在复合数据集中的模式识别.
研究的目的:
- 探索艺术和化学信息学的交叉点.
- 将化学空间可视化作为一种新的艺术媒介.
- 创建视觉上有吸引力的图形,具有知识共享和艺术表达的双重好处.
主要方法:
- 开发一种将艺术与化学信息学融合的方法.
- 用化学空间的视觉表现来进行艺术创作.
- 涉及食品化学品和其他化合物的案例研究.
主要成果:
- 从化学空间数据生成视觉上有吸引力的图表.
- 展示了化学空间可视化作为艺术的潜力.
- 为可重复性提供免费可用的代码和数据集.
结论:
- 化学空间可视化为创建数字艺术提供了一个独特的概念.
- 这种方法是教育和向学生介绍化学信息学的有效工具.
- 艺术和化学的融合促进了科学知识的更广泛传播.
相关概念视频
Molecular Models
38.5K
Physical models representing molecular architectures of chemical compounds play essential roles in understanding chemistry. The use of molecular models makes it easier to visualize the structures and shapes of atoms and molecules.
38.5K
Fischer Projections
13.3K
Learning to draw Fischer projections of molecules and understanding their relevance plays a crucial role in the visual depiction of organic molecules. A Fischer projection is a two-dimensional projection on a planar surface to simplify the three-dimensional wedge–dash representation of molecules. This is especially helpful in the case of molecules with multiple chiral centers that can be difficult to draw. Here, all the bonds of interest are represented as horizontal or vertical lines.
13.3K
Molecular Shapes
56.9K
Molecules have characteristic shapes that are crucial for their function. The arrangement of various electron groups around the central atom dictates their molecular geometry. Electron pairs in the valence shell of a central atom will adopt an arrangement that minimizes repulsions between the electron pairs by maximizing the distance between them. The valence electrons form either bonding pairs, located primarily between bonded atoms, or lone pairs.
Two regions of electron density in a diatomic...
Two regions of electron density in a diatomic...
56.9K
VSEPR Theory
9.5K
Valence shell electron-pair repulsion theory (VSEPR theory) enables us to predict the molecular structure around a central atom from an examination of the number of bonds and lone electron pairs in its Lewis structure. The VSEPR model assumes that electron pairs in the valence shell of a central atom will adopt an arrangement that minimizes repulsions between these electron pairs by maximizing the distance between them. The electrons in the valence shell of a central atom form either bonding...
9.5K
Photochemical Electrocyclic Reactions: Stereochemistry
1.8K
The absorption of UV–visible light by conjugated systems causes the promotion of an electron from the ground state to the excited state. Consequently, photochemical electrocyclic reactions proceed via the excited-state HOMO rather than the ground-state HOMO. Since the ground- and excited-state HOMOs have different symmetries, the stereochemical outcome of electrocyclic reactions depends on the mode of activation; i.e., thermal or photochemical.
Selection Rules: Photochemical Activation
Selection Rules: Photochemical Activation
1.8K
Chemical Bonds
16.6K
Atoms participate in a chemical bond formation to acquire a completed valence-shell electron configuration similar to that of the noble gas nearest to it in atomic number. Ionic, covalent, and metallic bonds are some of the important types of chemical bonds. Bond energy and bond length determine the strength of a chemical bond.
Types of Chemical Bonds
An ionic bond is formed due to electrostatic attraction between cations and anions. Often, the ions are formed by the transfer of electrons...
16.6K


