cloud-computing based crystal structure prediction platform (XtalPi Inc)
90
Structured Review
XtalPi Inc
cloud-computing based crystal structure prediction platform
Cloud Computing Based Crystal Structure Prediction Platform, supplied by XtalPi Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/cloud-based+computational+platform/intelligent+digital+drug+discovery+and+development++id4++platform/pm36257339-83-9-8
Average 90 stars, based on 1 article reviews
Cloud Computing Based Crystal Structure Prediction Platform, supplied by XtalPi Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/cloud-based+computational+platform/intelligent+digital+drug+discovery+and+development++id4++platform/pm36257339-83-9-8
Average 90 stars, based on 1 article reviews
cloud-computing based crystal structure prediction platform - by Bioz Stars,
2026-11
90/100 stars
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other:Article Title: Artificial intelligence and work: a critical review of recent research from the social sciences Article Snippet: In the pharmaceutical industry, AI is already used to spur innovation in a number of ways: for instance, to cite just three platforms, by mapping rare diseases (BERG platform); predicting the pharmaceutical properties of Article Title: Novel Physics-Based Ensemble Modeling Approach That Utilizes 3D Molecular Conformation and Packing to Access Aqueous Thermodynamic Solubility: A Case Study of Orally Available Bromodomain and Extraterminal Domain Inhibitor Lead Optimization Series. Article Snippet: Drug design with patient centricity for ease of administration and pill burden requires robust understanding of the impact of chemical modifications on relevant physicochemical properties early in lead optimization.. To this end, we have developed a physics-based ensemble approach to predict aqueous thermodynamic crystalline solubility, with a 2D chemical structure as the input.. Predictions for the bromodomain and extraterminal domain (BET) inhibitor series show very close match (0.5 log unit) with measured thermodynamic solubility for cases with low crystal anisotropy and good match (1 log unit) for high anisotropy structures. Article Title: Current State-of-the-art In-house and Cloud-Based Applications of Virtual Polymorph Screening of Pharmaceutical Compounds: A Challenging Case of AZD1305 Article Snippet: We demonstrate the successful application of the state-of-the-art AstraZeneca in-house and XtalPi cloud-based virtual polymorph screening workflows in support of stable form selection of crystalline oxabispidine AZD1305, a pharmaceutical compound.. Experimental solid form screening had found two polymorphic forms, A and B, with physical stabilities that appeared to be extremely close at ambient temperature.. Such observation may make experimental and in silico support of the solid form selection a challenging task. Article Title: Polymorphism of Purpurin and Low-level Detection of the Noncentrosymmetric form by Second Harmonic Generation Microscopy. Article Snippet: Nonlinear optical imaging based on second harmonic generation (SHG) provides rapid and highly selective detection of polar crystals.. Purpurin (PUR) is a natural product with multiple pharmacological activities.. Two polymorphs of PUR show distinct crystal packing and structural symmetry, where form I crystallizes in a polar space group and form II crystallizes in a centrosymmetric crystal structure. Article Title: Evaluating the effect of artificial intelligence on pharmaceutical product and drug discovery in China Article Snippet: Figure 4 indicates the collaborative approach adopted by Drug discovery:Article Title: Advancing health care via artificial intelligence: From concept to clinic. Article Snippet: Ever Since, pharmaceutical companies are facing challenges to develop new drug products faster and economical with good quality, safety and efficacy.. The advent of Artificial intelligence (AI) with computational technology empowers scientists, impacts society at a great scale by developing new drugs at rapid pace.. Artificial intelligence is the science and engineering of creating intelligent machines using personified knowledge. |