The many roles of molecular complexity in drug discovery

详细信息    查看全文

• 作者：Oscar Mé ; ndez-Lucio ; ^{oscarmen@comunidad.unam.mx} ; José ; L. Medina-Franco ; ^{medinajl@unam.mx}
• 刊名：Drug Discovery Today
• 出版年：2017
• 出版时间：January 2017
• 年：2017
• 卷：22
• 期：1
• 页码：120-126
• 全文大小：1075 K
• 卷排序：22

文摘

Molecular complexity is used in lead optimization, library design and compound selection. Complexity as an intuitive concept but not easy to quantify in a unique manner. Topological, physicochemical, substructure and graph-based approaches have been used.