Artificial neural networks for computer-based molecular design Export

@article{citeulike:4174184, abstract = {The theory of artificial neural networks is briefly reviewed focusing on supervised and unsupervised techniques which have great impact on current chemical applications. An introduction to molecular descriptors and representation schemes is given. In addition, worked examples of recent advances in this field are highlighted and pioneering publications are discussed. Applications of several types of artificial neural networks to compound classification, modelling of structure–activity relationships, biological target identification, and feature extraction from biopolymers are presented and compared to other techniques. Advantages and limitations of neural networks for computer-aided molecular design and sequence analysis are discussed.}, author = {Schneider, G.}, citeulike-article-id = {4174184}, citeulike-linkout-0 = {http://dx.doi.org/10.1016/S0079-6107(98)00026-1}, citeulike-linkout-1 = {http://linkinghub.elsevier.com/retrieve/pii/S0079-6107(98)00026-1}, doi = {10.1016/S0079-6107(98)00026-1}, issn = {00796107}, journal = {Progress in Biophysics and Molecular Biology}, keywords = {drug\_design, modeling, neural\_networks}, month = {November}, number = {3}, pages = {175--222}, posted-at = {2009-10-06 11:59:25}, priority = {2}, title = {Artificial neural networks for computer-based molecular design}, url = {http://dx.doi.org/10.1016/S0079-6107(98)00026-1}, volume = {70}, year = {1998} }

TY - JOUR ID - citeulike:4174184 L3 - citeulike-article-id:4174184 N2 - The theory of artificial neural networks is briefly reviewed focusing on supervised and unsupervised techniques which have great impact on current chemical applications. An introduction to molecular descriptors and representation schemes is given. In addition, worked examples of recent advances in this field are highlighted and pioneering publications are discussed. Applications of several types of artificial neural networks to compound classification, modelling of structure–activity relationships, biological target identification, and feature extraction from biopolymers are presented and compared to other techniques. Advantages and limitations of neural networks for computer-aided molecular design and sequence analysis are discussed. IS - 3 JF - Progress in Biophysics and Molecular Biology SN - 00796107 EP - 222 TI - Artificial neural networks for computer-based molecular design VL - 70 SP - 175 KW - drug_design KW - modeling KW - neural_networks AU - Schneider, G PY - 1998/11// UR - http://dx.doi.org/10.1016/S0079-6107(98)00026-1 ER -