Abstract The Structural Genomics Consortium is an international open science research
organization with a focus on accelerating early-stage drug discovery, namely hit discovery …

The rule of 5 (Ro5) is a set of in silico guidelines applied to drug discovery to prioritize
compounds with an increased likelihood of high oral absorption. It has been influential in …

Abstract The IUPHAR/BPS Guide to PHARMACOLOGY (GtoPdb, http://www.
guidetopharmacology. org) provides expert-curated molecular interactions between …

Efficient access to chemical information contained in scientific literature, patents, technical
reports, or the web is a pressing need shared by researchers and patent attorneys from …

Chemogenomics data generally refers to the activity data of chemical compounds on an
array of protein targets and represents an important source of information for building in …

The maximum achievable accuracy of in silico models depends on the quality of the
experimental data. Consequently, experimental uncertainty defines a natural upper limit to …

Science, and the way we undertake research, is changing. The increasing rate of data
generation across all scientific disciplines is providing incredible opportunities for data …

The increasing volume of biomedical data in chemistry and life sciences requires the
development of new methods and approaches for their handling. Here, we briefly discuss …

Molecular matched pair (MMP) analysis has been used for more than 40 years within
molecular design and is still an important tool to analyse potency data and other compound …

Chemical patents represent a valuable source of information about new chemical
compounds, which is critical to the drug discovery process. Automated information extraction …