the simplified molecular-input line-entry system (smiles) is a specification in form of a line notation for describing the structure of chemical species using short ascii strings.smiles strings can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the molecules.. the original smiles specification was initiated in the 1980s.
átomos. los átomos están representados por la abreviatura estándar de cada elemento químico, entre corchetes, tales como [au] para el oro.los corchetes pueden ser omitidos para "subconjuntos orgánicos" de b, c, n, o, p, s, f, cl, br, y i. todos los demás elementos deben estar encerrados en corchetes.
molinsight . a web portal for the processing of molecular structures by blind students versão port uguesa last update: 26.07.2017 the molinsight web portal is a gateway to open-source software as well as software freely accessible to students that can be integrated in strategies for blind users to process chemical structures.
dock. return to table of contents. 2.1. overview. this section is intended as a reference manual for the features of the dock suite of programs. it is intended to give an overview of the ideas which form the basis of the dock suite of programs and to detail the available user parameters.
the online chemical modeling environment is a web-based platform that aims to automate and simplify the typical steps required for qsar modeling. the platform consists of two major subsystems: the database of experimental measurements and the