Improved QSAR models for PARP-1 inhibition using data balancing, interpretable machine learning, and matched molecular pair analysis

The poly (ADP-ribose) polymerase-1 (PARP-1) enzyme is an important target in the treatment of breast cancer. Currently, treatment options include the drugs Olaparib, Niraparib, Rucaparib, and Talazoparib; however, these drugs can cause severe side effects including hematological toxicity and cardiot...

Ausführliche Beschreibung

Gespeichert in:

Bibliographische Detailangaben
Veröffentlicht in:	Molecular diversity 2024-08, Vol.28 (4), p.2135-2152
Hauptverfasser:	Gomatam, Anish, Hirlekar, Bhakti Umesh, Singh, Krishan Dev, Murty, Upadhyayula Suryanarayana, Dixit, Vaibhav A.
Format:	Artikel
Sprache:	eng
Schlagworte:	Accuracy Algorithms Biochemistry Biomedical and Life Sciences Breast cancer Cardiotoxicity Cell death Classification Cooperation Datasets DNA damage DNA repair Drugs Enzymes FDA approval Hematology Humans Life Sciences Machine Learning Models, Molecular Organic Chemistry Original Article Pharmaceutical sciences Pharmacy Phthalazines - chemistry Phthalazines - pharmacology Poly (ADP-Ribose) Polymerase-1 - antagonists & inhibitors Poly (ADP-Ribose) Polymerase-1 - metabolism Poly(ADP-ribose) Polymerase Inhibitors - chemistry Poly(ADP-ribose) Polymerase Inhibitors - pharmacology Polymer Sciences Quantitative Structure-Activity Relationship Toxicity
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!

Schreiben Sie den ersten Kommentar!