The solid form screening of galunisertib produced many solvates, prompting an extensive
investigation into possible risks to the development of the favored monohydrate form …

The fundamental crystal science underpinning the industrial crystallisation of organic
materials is reviewed from molecular, intermolecular (synthonic) and crystallographic …

Crystal structure prediction based on searching for the global minimum in the lattice energy
(CSP_0) is growing in use for guiding the discovery of new materials, for example, new …

Predictions of relative stabilities of (competing) molecular crystals are of great technological
relevance, most notably for the pharmaceutical industry. However, they present a long …

A detailed study of the behavior under pressure of four important organic acids using the first-
principles solid-state methodology is presented. These organic acids are the L-(+)-lactic …

Crystal structure prediction methods are prone to overestimate the number of potential
polymorphs of organic molecules. In this work, we aim to reduce the overprediction by …

We present an extensive exploration of the solid-form landscape of chlorpropamide (CPA)
using a combined experimental–computational approach at the frontiers of both fields. We …

We demonstrate that physics-based calculations of intrinsic aqueous solubility can rival
cheminformatics-based machine learning predictions. A proof-of-concept was developed for …

The crystallization of ciprofloxacin—an antibacterial fluoroquinolone compound—with
salicylic acid resulted in the isolation of five distinct solid forms of the drug, namely, an …

Derivatives of benzene with multiple similar substituents possess a large potential to exhibit
static disorder of their crystalline phases. Since multiple orientations of these molecules in …