Charge and bond order-based similarity analysis of pi-conjugated organic molecules

1
Charge and bond order-based similarity analysis
of pi-conjugated organic molecules

• Valentin Monev
• Institute of Organic Chemistry with Center of
  Phytochemistry
• Bulgarian Academy of Sciences

2

• introduction

3

• introduction

4
(No Transcript)
5

• we introduce the similarity concept into quantum
  chemistry

Fratev, F., O. E. Polansky, A. Mehlhorn and V.
Monev (1979). Application of distance and
similarity measures - comparison of molecular
electronic structures in arbitrary electronic
states. J. Mol. Struct. 56(2) 245-253
6

• we introduce the similarity concept into quantum
  chemistry

Fratev, F., O. E. Polansky, A. Mehlhorn and V.
Monev (1979). Application of distance and
similarity measures - comparison of molecular
electronic structures in arbitrary electronic
states. J. Mol. Struct. 56(2) 245-253
7

• we introduce the similarity concept into quantum
  chemistry

Fratev, F., O. E. Polansky, A. Mehlhorn and V.
Monev (1979). Application of distance and
similarity measures - comparison of molecular
electronic structures in arbitrary electronic
states. J. Mol. Struct. 56(2) 245-253
8

• we introduce the similarity concept into quantum
  chemistry

Fratev, F., O. E. Polansky, A. Mehlhorn and V.
Monev (1979). Application of distance and
similarity measures - comparison of molecular
electronic structures in arbitrary electronic
states. J. Mol. Struct. 56(2) 245-253
9

• possible applications of charge and bond
  order-based similarity analysis

Mehlhorn, A., F. Fratev, O. E. Polansky and V.
Monev (1984). Distance measures. A new tool for
the analysis and characterization of molecular
properties. MATCH-Commun. Math. Comput.
Chem.(15) 3-107
10

• possible applications of charge and bond
  order-based similarity analysis

Mehlhorn, A., F. Fratev, O. E. Polansky and V.
Monev (1984). Distance measures. A new tool for
the analysis and characterization of molecular
properties. MATCH-Commun. Math. Comput.
Chem.(15) 3-107
11

• possible applications of charge and bond
  order-based similarity analysis

Mehlhorn, A., F. Fratev, O. E. Polansky and V.
Monev (1984). Distance measures. A new tool for
the analysis and characterization of molecular
properties. MATCH-Commun. Math. Comput.
Chem.(15) 3-107
12

• possible applications of charge and bond
  order-based similarity analysis

Mehlhorn, A., F. Fratev, O. E. Polansky and V.
Monev (1984). Distance measures. A new tool for
the analysis and characterization of molecular
properties. MATCH-Commun. Math. Comput.
Chem.(15) 3-107
13

• possible applications of charge and bond
  order-based similarity analysis

Mehlhorn, A., F. Fratev, O. E. Polansky and V.
Monev (1984). Distance measures. A new tool for
the analysis and characterization of molecular
properties. MATCH-Commun. Math. Comput.
Chem.(15) 3-107
14

• possible applications of charge and bond
  order-based similarity analysis

Mehlhorn, A., F. Fratev, O. E. Polansky and V.
Monev (1984). Distance measures. A new tool for
the analysis and characterization of molecular
properties. MATCH-Commun. Math. Comput.
Chem.(15) 3-107
15

• possible applications of charge and bond
  order-based similarity analysis

Mehlhorn, A., F. Fratev, O. E. Polansky and V.
Monev (1984). Distance measures. A new tool for
the analysis and characterization of molecular
properties. MATCH-Commun. Math. Comput.
Chem.(15) 3-107
16

• possible applications of charge and bond
  order-based similarity analysis

Mehlhorn, A., F. Fratev, O. E. Polansky and V.
Monev (1984). Distance measures. A new tool for
the analysis and characterization of molecular
properties. MATCH-Commun. Math. Comput.
Chem.(15) 3-107
17

• possible applications of charge and bond
  order-based similarity analysis

Mehlhorn, A., F. Fratev, O. E. Polansky and V.
Monev (1984). Distance measures. A new tool for
the analysis and characterization of molecular
properties. MATCH-Commun. Math. Comput.
Chem.(15) 3-107
18

• possible applications of charge and bond
  order-based similarity analysis

Mehlhorn, A., F. Fratev, O. E. Polansky and V.
Monev (1984). Distance measures. A new tool for
the analysis and characterization of molecular
properties. MATCH-Commun. Math. Comput.
Chem.(15) 3-107
19

• possible applications of charge and bond
  order-based similarity analysis

Mehlhorn, A., F. Fratev, O. E. Polansky and V.
Monev (1984). Distance measures. A new tool for
the analysis and characterization of molecular
properties. MATCH-Commun. Math. Comput.
Chem.(15) 3-107
20

• possible applications of charge and bond
  order-based similarity analysis

Mehlhorn, A., F. Fratev, O. E. Polansky and V.
Monev (1984). Distance measures. A new tool for
the analysis and characterization of molecular
properties. MATCH-Commun. Math. Comput.
Chem.(15) 3-107
21

• possible applications of charge and bond
  order-based similarity analysis

Neykov, G., V. Enchev, V. Monev and I. Kanev
(1995). Electronic structure and polarizabilities
of some heterocycles. I. Hydroxypyrazoles amd
related molecules. Molecular Engineering 5
347-361
22

• appendix

Mehlhorn, A., F. Fratev, O. E. Polansky and V.
Monev (1984). Distance measures. A new tool for
the analysis and characterization of molecular
properties. MATCH-Commun. Math. Comput.
Chem.(15) 3-107
23

• we develop the conceptual apparatus of similarity

Monev, V. (2004). Introduction to similarity
searching in chemistry. MATCH-Commun. Math.
Comput. Chem.(51) 7-38
24

• we develop the conceptual apparatus of similarity

Monev, V. (2004). Introduction to similarity
searching in chemistry. MATCH-Commun. Math.
Comput. Chem.(51) 7-38
25

• we develop the conceptual apparatus of similarity

Monev, V. (2004). Introduction to similarity
searching in chemistry. MATCH-Commun. Math.
Comput. Chem.(51) 7-38
26

• we develop the conceptual apparatus of similarity

Monev, V. (2004). Introduction to similarity
searching in chemistry. MATCH-Commun. Math.
Comput. Chem.(51) 7-38
27

• we develop the conceptual apparatus of similarity

Monev, V. (2004). Introduction to similarity
searching in chemistry. MATCH-Commun. Math.
Comput. Chem.(51) 7-38
28

• we develop the conceptual apparatus of similarity

Monev, V. (2004). Introduction to similarity
searching in chemistry. MATCH-Commun. Math.
Comput. Chem.(51) 7-38
29

• we develop the conceptual apparatus of similarity

Monev, V. (2004). Introduction to similarity
searching in chemistry. MATCH-Commun. Math.
Comput. Chem.(51) 7-38
30

• we develop the conceptual apparatus of similarity

Monev, V. (2004). Introduction to similarity
searching in chemistry. MATCH-Commun. Math.
Comput. Chem.(51) 7-38
31

• we develop the conceptual apparatus of similarity

Monev, V. (2004). Introduction to similarity
searching in chemistry. MATCH-Commun. Math.
Comput. Chem.(51) 7-38
32
Monev, V. (2004). Introduction to similarity
searching in chemistry. MATCH-Commun. Math.
Comput. Chem.(51) 7-38
33
Monev, V. (2004). Introduction to similarity
searching in chemistry. MATCH-Commun. Math.
Comput. Chem.(51) 7-38
34
(No Transcript)
35

• standing on the shoulders of giants