Details

Autor(en) / Beteiligte

• Vlamos, Panayiotis

Titel

Artificial Neural Networks in Computer-Aided Drug Design: An Overview of Recent Advances

Ist Teil von

• GeNeDis 2018, 2020-01, Vol.1194, p.115-125

Ort / Verlag

Switzerland: Springer

Erscheinungsjahr

2020

Link zum Volltext

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• Computer-aided drug design (CADD) is the framework in which the huge amount of data accumulated by high-throughput experimental methods used in drug design is quantitatively studied. Its objectives include pattern recognition, biomarker identification and/or classification, etc. In order to achieve these objectives, machine learning algorithms and especially artificial neural networks (ANNs) have been used over ADMET factor testing and QSAR modeling evaluation. This paper provides an overview of the current trends in CADD-applied ANNs, since their use was re-boosted over a decade ago.