Browsing by Author "Jalal, Rachid"
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- Present drug-likeness filters in medicinal chemistry during the hit and lead optimization process: how far can they be simplified?Publication . Mignani, Serge; Rodrigues, João; Tomás, Helena; Jalal, Rachid; Singh, Parvinder Pal; Majoral, Jean-Pierre; Vishwakarma, Ram A.During the past decade, decreasing the attrition rate of drug development candidates reaching the market has become one of the major challenges in pharmaceutical research and drug development (R&D). To facilitate the decision-making process, and to increase the probability of rapidly finding and developing high-quality compounds, a variety of multiparametric guidelines, also known as rules and ligand efficiency (LE) metrics, have been developed. However, what are the 'best' descriptors and how far can we simplify these drug-likeness prediction tools in terms of the numerous, complex properties that they relate to?