(2)计算机辅助分子设计(CAMD,Computer-Aided Molecular Design) 对于一个给定的分离体系,由于有机物种类众多,单靠实验或性质约束方法 从千万种化合物中选出最佳的溶剂...
基于8个网页-相关网页
利用基团贡献法可预测化合物的性质,还能用于化合物的计算机辅助分子设计(CAMD)。
Group contribution method can be used not only to estimate the properties of compounds, but also in computer-aided molecular design (CAMD).
药物小分子合成;计算机辅助药物设计;化学生物学。
Structure-based drug molecule design and organic synthesis; Chemical biology.
开发了基于MATLAB环境的辅助农药分子设计计算机系统。
A system of computer aided pesticide molecular designing based on MATLAB was developed as the complementarity of the software named as TRIPOS.
应用推荐