Unilever Centre for Molecular Sciences Informatics, University Chemical Laboratory, Lensfield Road, Cambridge, CB2 1EW, UK.
Future Med Chem. 2011 Mar;3(4):399-403. doi: 10.4155/fmc.11.16.
Drug discovery involves the simultaneous optimization of chemical and biological properties, usually in a single small molecule, which modulates one of nature's most complex systems: the balance between human health and disease. The increased use of computer-aided methods is having a significant impact on all aspects of the drug-discovery and development process and with improved methods and ever faster computers, computer-aided molecular design will be ever more central to the discovery process.
药物发现涉及化学和生物学性质的同时优化，通常是在单个小分子中进行，该小分子调节自然界最复杂的系统之一：人类健康与疾病之间的平衡。计算机辅助方法的广泛应用正在对药物发现和开发过程的各个方面产生重大影响，并且随着方法的改进和计算机速度的不断提高，计算机辅助分子设计将在发现过程中变得更加重要。
