Synthetic Chemical Literature

Abstract

Several databases track new and improved synthetic methods in organic chemistry. An analysis of the ISI Reaction Center, CASREACT, and ChemInformRX shows a consensus that nearly all new synthetic techniques are found in a core of about 100 sources. In addition, patents were found to be a significant, yet under-used, source of novel chemistry.

Understanding topological symmetry: A heuristic approach to its determination

“…This is one of the merits of this method. It does not P1: {(1,1); (2,14); (3,13);(4,4);(5,5); (6,10); (7,9); (8,8); (11,11); (12,12); (15,15);(16,16)} P2: {(1,8);(2,7); (3,6);(4,5); (9,14); (10,13); (11,15); (12,16) No No 0.06 13 P1: {(1,1);(2,6);(3,5);(4,4);(7,13); (8,14); (9,15); (10,16); (11,17); (12,18); (19,19); (20,21); (22,22);(23,24)} P2: {(1,3);(2,2);(4,6);(5,5);(7,7); (8,9);(10,10); (11,12); (13,19); (14,20); (15,21); (16,22); (17,23);(18,24)} P3: {(1,5);(2,4);(3,3);(6,6); (7,...…”

“…(6,6);(7,10); (8,11); (9,12); (13,16); (14,17); (15,18); (19,22); (20,23 ,7); (8,8); (9,9);(10,10); (11,11); (12,12);(13,13); (14,14); (15,15); (16,16); (17,17); (18,18); (19,19); (20,20) require a special procedure to determine stereochemical centers neither the number or size or kind of cycle (isolated, nested, spiro, fused) or even to know if there is any cycle present. Processing time in general depends on the number of atoms and also on the structure complexity more than on the number of symmetry elements.…”

“…As it is known these indices can be used for determining predictive models of some physical and/or biological properties. 17 Also it could be of help during atom type assignment in molecular mechanics force fields especially for some complex symmetrical structures presenting difficulties for assessing equivalence or non-equivalence of some atoms like structure 18 on Table 6. On the other hand, the importance of chirality of drugs has been recognized for many years, and also, quantitative stereostructure-activity relationships QSSAR 18 or 3D-QSAR 19 using a fragment contribution approach for leading compounds search in drug design.…”

Strategies for Chemical Reaction Searching in SciFinder

“…However the vast array of methods available cannot easily be recalled, and commonly chemists need many resources to help solve specific problems. Many electronic databases have been built to assist with retrieval of chemical reaction information, and several publications report on general issues and comparisons of databases, [1][2][3][4][5][6][7][8][9][10] on the Beilstein reaction database, [11][12][13][14] and on the CAS database. [15][16][17][18] A comprehensive source of chemical reaction information is contained within the CAS bibliographic, structure, and reaction databases.…”

“…However the vast array of methods available cannot easily be recalled, and commonly chemists need many resources to help solve specific problems. Many electronic databases have been built to assist with retrieval of chemical reaction information, and several publications report on general issues and comparisons of databases, − on the Beilstein reaction database, − and on the CAS database. − …”