Das periodische System und die Evolution des chemischen Raums

Abstract

Meyer und Mendelejew ordneten und klassifizierten im 19. Jahrhundert die Elemente nach chemischen Verbindungen. Wenn Chemiker jetzt immer mehr Verbindungen synthetisieren und charakterisieren, sollte ein Periodensystem dann nicht irgendwann ganz anders aussehen?

Chemical space: limits, evolution and modelling of an object bigger than our universal library

“…A space entails a set of objects and a notion of nearness among them. 8,9 A chemical space can, therefore, be thought of as a set of chemicals endowed with a notion of nearness. 9,10 One may think of an Euclidean space, where substances are somehow located in a coordinate system allowing for measuring distances among them.…”

“…8,9 A chemical space can, therefore, be thought of as a set of chemicals endowed with a notion of nearness. 9,10 One may think of an Euclidean space, where substances are somehow located in a coordinate system allowing for measuring distances among them. Based on that nearness one may classify substances (Fig.…”

“…1a). 9 { Likewise, one can imagine the space as a set of substances related by synthetic paths, which leads to a network (Fig. 1b).…”

“…This nearness notion may also be used to classify substances. 9 In the 1970s the nearness among substances was addressed from a molecular similarity stance. 11 Several mathematical and computational methods were developed to quantify such a similarity, which eventually led to the paradigm of Quantitative Structure-Activity Relationships models (QSAR), of widespread use today in medicinal and environmental chemistry.…”

“…1a). 9 ¶¶All over the text I talk about classes, which are to be understood as sets or subsets. This implies that classes in this text may overlap, as in Fig.…”