http://zinc15.docking.org/patterns/home/ Search a compound for patterns. You can select only a specific subset of patterns (e.g. PAINS) to report. Finally, the OSIRIS® &nb ...
从对接的化合物中挑选最终购买的化合物。 MATCHES框中一次只能添加一个entry 通过add 实现OR的功能, 通过substract实现AND NOT的功能, 通过Intersect 实现IAND 的功能。 Why an Entry Selection Language? The Entry Selection Language (ESL) is used for selecting entries in a Maestro project base ...