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Accelrys pipeline pilot (version 8.5)
Pipeline Pilot (Version 8.5), supplied by Accelrys, 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/pipeline+pilot+(version+8%2E5)/pipeline+pilot+2016/pmc06633917__NIHMS1514494___supplement___1-10-18-22
Average 90 stars, based on 1 article reviews
pipeline pilot (version 8.5) - by Bioz Stars, 2026-09
90/100 stars

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Article Title: Analysis of Pfizer compounds in EPA's ToxCast chemicals-assay space.
Article Snippet: The U.S. Environmental Protection Agency (EPA) launched the ToxCast program in 2007 with the goal of evaluating high-throughput in vitro assays to prioritize chemicals that need toxicity testing.. Their goal was to develop predictive bioactivity signatures for toxic compounds using a set of in vitro assays and/or in silico properties.. In 2009, Pfizer joined the ToxCast initiative by contributing 52 compounds with preclinical and clinical data for profiling across the multiple assay platforms available.

Article Title: Mycobacterial Dihydrofolate Reductase Inhibitors Identified Using Chemogenomic Methods and In Vitro Validation
Article Snippet: Using suitable protocols in Pipeline Pilot version 8.5 from Accelrys [ ], 2D coordinates for each compound were generated from their canonical SMILES.

Article Title: Identification of pyrrolo[3,2-c]pyridin-4-amine compounds as a new class of entry inhibitors against influenza viruses in vitro.
Article Snippet: 184 words) Various influenza virus entry inhibitors are being developed as therapeutic antiviral agents in ongoing preparation for emerging influenza viruses, particularly those that may possess drug resistance to the current FDAapproved neuraminidase inhibitors.. In this study, small molecules having the pyrrolopyridinamine (PPA), aminothiadiazole (ATD), dihydrofuropyridine carboxamide (HPC), or imidazopyridinamine (IPA) moiety were selected from a target-focused chemical library for their inhibitory activity against influenza A virus by highthroughput screening using the PR8GFP assay.. Activity was evaluated by measuring changes the proportion of GFP-expressing cells as a reflection of influenza virus infection.

Article Title: Exploring the biologically relevant chemical space for drug discovery.
Article Snippet: Both recent studies and our calculation suggest that the physicochemical properties of launched drugs changed continuously over the past decades.. Besides shifting of commonly used properties, the average biological relevance (BR) and similarity to natural products (NPs) of launched drugs decreased, reflecting the fact that current drug discovery deviated away from NPs.. To change the current situation characterized by high investment but low productivity in drug discovery, efforts should be made to improve the BR of the screening library and hunt drugs more effectively in the biologically relevant chemical space.

Article Title: QSAR design of triazolopyridine mGlu2 receptor positive allosteric modulators.
Article Snippet: Two QSAR approaches were applied to assist the design and to prioritise the synthesis of new active mGlu2 receptor positive allosteric modulators (PAMs).. With the aim to explore a particular point of substitution the models successfully prioritised molecules originating from chemistry ideas and a large virtual library.. The two methods, 3D topomer CoMFA and support vector machines with 2D ECFP6 finger-

Article Title: Libraries of compounds having desired properties and methods for making and using them
Article Snippet: The exemplary protocols were written in PIPELINE PILOTTM version 8.5TM (Accelrys, San Diego, Calif.) (a graphical scientific workflow authoring application) using the CHEMISTRY COLLECTIONTM (Accelrys) (a comprehensive suite of capabilities for the manipulation and management of chemical information) components and the MOLECULAR TOOLKITTM (Accelrys) (a software development kit for accessing and modifying molecular data objects in protocols such as atoms, bonds, molecules, reactions and macromolecules) as needed.

Transformation Assay:

Article Title: Unprecedently Large-Scale Kinase Inhibitor Set Enabling the Accurate Prediction of Compound–Kinase Activities: A Way toward Selective Promiscuity by Design?
Article Snippet: .. PKI structures were directly extracted, transformed from SMILES representations, or manually drawn using Biovia Draw and then standardized using Pipeline Pilot version 8.5: salts were removed, charges and stereochemistry were standardized, and a canonical tautomer was generated. ..

Generated:

Article Title: Unprecedently Large-Scale Kinase Inhibitor Set Enabling the Accurate Prediction of Compound–Kinase Activities: A Way toward Selective Promiscuity by Design?
Article Snippet: .. PKI structures were directly extracted, transformed from SMILES representations, or manually drawn using Biovia Draw and then standardized using Pipeline Pilot version 8.5: salts were removed, charges and stereochemistry were standardized, and a canonical tautomer was generated. ..

Software:

Article Title: ChEMBL: towards direct deposition of bioassay data
Article Snippet: Information about drugs that have been withdrawn from the market is also included in ChEMBL, and those drugs withdrawn for toxicity reasons are categorized according to the type of toxicity shown (e.g. hepatotoxicity, cardiotoxicity, neurotoxicity). .. Prior to release 24 of ChEMBL, compound physiochemical properties were calculated using Pipeline Pilot (version 8.5, Accelrys Inc. 2012) and ACD/Labs Physchem software (version 12.01, Advanced Chemistry Development Inc. 2010). .. From ChEMBL_24 onwards, the majority of the properties (MW_FREEBASE, ALOGP, HBA, HBD, PSA, RTB, QED_WEIGHTED, FULL_MWT, AROMATIC_RINGS, HEAVY_ATOMS, MW_MONOISOTOPIC, FULL_MOLFORMULA, HBA_LIPINSKI and HBD_LIPINSKI) are now being calculated using RDKit ( https://www.rdkit.org , 2018), with ACD_MOST_APKA, ACD_MOST_BPKA, ACD_LOGP, ACD_LOGD and MOLECULAR_SPECIES still calculated with ACD/Labs software.



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