AIMC Topic: Drug Design

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Role of moving average analysis for development of multi-target (Q)SAR models.

Mini reviews in medicinal chemistry Jan 1, 2015
In modern drug discovery era, multi target- quantitative structure activity relationship [mt- (Q)SAR] approaches have emerged as novel and powerful alternatives in the field of in-silico drug design so as to facilitate the discovery of new chemical e...
Humans Artificial Intelligence Computer Simulation Drug Design Plasmodium falciparum Models, Biological Malaria, Falciparum Antiprotozoal Agents Quantitative Structure-Activity Relationship Benzyl Compounds Trypanosomiasis, African Trypanosoma brucei rhodesiense
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Prediction of bioactive peptides using artificial neural networks.

Methods in molecular biology (Clifton, N.J.) Jan 1, 2015
Peptides are molecules of varying complexity, with different functions in the organism and with remarkable therapeutic interest. Predicting peptide activity by computational means can help us to understand their mechanism of action and deliver powerf...
Neural Networks, Computer Software Anti-Infective Agents Peptides Drug Design Computational Biology Models, Chemical Databases, Pharmaceutical
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A general ANN-based multitasking model for the discovery of potent and safer antibacterial agents.

Methods in molecular biology (Clifton, N.J.) Jan 1, 2015
Bacteria have been one of the world's most dangerous and deadliest pathogens for mankind, nowadays giving rise to significant public health concerns. Given the prevalence of these microbial pathogens and their increasing resistance to existing antibi...
Neural Networks, Computer Anti-Bacterial Agents Drug Design Bacteria Models, Chemical Quantitative Structure-Activity Relationship Databases, Pharmaceutical
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