Random Records

Note for: Maximizing computational tools for successful drug discovery (doi: 10.1517/17460441.2015.1016497) Selecting the appropriate computational tools is dependent on the goal of the drug discovery project - for instance - 1. understanding the SAR of a compound series 2. synthesizing/optimizing novel leads 3. understanding the binding modality for compounds of interest 4. screening for novel compounds with desired bioactivity 5. identifying potential toxicity in compounds 6. designing multi-target inhibitors 7. predicting the side effects of drugs Aim of this review: this editorial will briefly touch upon several key steps in the drug discovery process and their associated tools in the context of trying to cover most (if not all) of these essential topics in drug discovery. we also confer known or potential opportunities and problems that researchers may need to be aware of in their drug discovery endeavors. Despite the seemingly large chemical l...