TY - JOUR AU - Dander, Andreas AU - Mueller, Laurin AJ AU - Gallasch, Ralf AU - Pabinger, Stephan AU - Emmert-Streib, Frank AU - Graber, Armin AU - Dehmer, Matthias PY - 2013 DA - 2013/11/13 TI - [COMMODE] a large-scale database of molecular descriptors using compounds from PubChem JO - Source Code for Biology and Medicine SP - 22 VL - 8 IS - 1 AB - Molecular descriptors have been extensively used in the field of structure-oriented drug design and structural chemistry. They have been applied in QSPR and QSAR models to predict ADME-Tox properties, which specify essential features for drugs. Molecular descriptors capture chemical and structural information, but investigating their interpretation and meaning remains very challenging. SN - 1751-0473 UR - https://doi.org/10.1186/1751-0473-8-22 DO - 10.1186/1751-0473-8-22 ID - Dander2013 ER -