Sentence examples for molecular access system from inspiring English sources
The MACCS (Molecular ACCess System) fingerprint is among the best-known substructure keys-based fingerprints [47].
For instance, binary vectors developed thus far are the Molecular ACCess System (MACCS) keys [2] and PubChem fingerprints.
The public Molecular ACCess System (MACCS) structural keys [43] are 166 predefined substructures defined as SMARTS and belong to the dictionary-based fingerprint class.
The next step will be to combine different sources of knowledge (e.g. predefined set of structural static patterns like MACCS keys (Molecular ACCess System) or patterns mined by human experts) and merge the resulting knowledge into a single SOHN.
The MACCS fingerprint is a bit string registering the presence or absence of structural features (MACCS stands for Molecular ACCess System, originally developed by Molecular Design Limited, now Accelrys).
Improving molecular access is important in order to eliminate the experimental differences between binding kinetics determined in 2D confined systems and solution studies (37 – 37).
Access System Preferences.
The PyMOL Molecular Graphics System, Version 2.0.
The PyMOL Molecular Graphics System v. 1.8.
Schrödinger, L. The PyMOL Molecular Graphics System, Version 1.3.
