Results 211 to 220 of about 75,103 (257)

Standards for Computational Methods in Drug Design and Discovery: Simplified Guidance for Authors and Reviewers. [PDF]

Drug Des Devel Ther
Ibrahim TM, Hussain M, Boeckler FM.
europepmc   +1 more source

QSAR studies of 2-substituted 2,3-dihydro-1h-naphtho[1,8-de]-1,3,2-diazaphosphorine 2-oxides and sulphides

Open Chemistry, 2004
Madhuritha A., Kumar B., Parthasarathy T., Uma V.   +3 more
doaj   +1 more source

Computational Chemistry Advances in the Development of PARP1 Inhibitors for Breast Cancer Therapy. [PDF]

Pharmaceuticals (Basel)
Twala C, Govender P, Govender K.
europepmc   +1 more source

OrbiTox: a visualization platform for NAMs and read-across exploration of multi-domain data. [PDF]

Front Pharmacol
Ross A, Gombar V, Sedykh A, Green AJ, Borrel A, Kidd B, Phillips J, Shah M, Phadke D, Mav D, Balik-Meisner M, Howard B, Shah R, Kleinstreuer NC, Casey WM.   +14 more
europepmc   +1 more source

Discovery of novel angiotensin-converting enzyme inhibitory peptides by <i>in silico</i> and <i>in vitro</i> studies. [PDF]

RSC Adv
Jiao F, Yang J, Wang F, Peng S, Zhou B.
europepmc   +1 more source

Design of Hybrid Quinoline-Chalcone Compounds Against <i>Leishmania amazonensis</i> Based on Computational Techniques: 2D- and 3D-QSAR with Experimental Validation. [PDF]

Pharmaceuticals (Basel)
Lorca M, Muscia GC, Mella J, Thomaz L, Yokoyama-Yasunaka JK, Moraga D, Rodriguez-Nuñez YA, Asís SE, Cortez M, Mellado M.   +9 more
europepmc   +1 more source

Multi-objective QSAR prediction of ERα antagonists via SHAP-based interpretation. [PDF]

PLoS One
Cao J, Liu Y.
europepmc   +1 more source

PI3K/AKT/eNOS Modulation and Angiotensin II Suppression by <i>Dryopteris crassirhizoma</i> Rhizome Extract: Computational and Experimental Evidence. [PDF]

ACS Omega
Kim J, Park J, Shin S, Kim Y, Jung J, Bu Y, Choi HY, Lee K.   +7 more
europepmc   +1 more source

FLUFF-BALL, a Fuzzy Superposition and QSAR Technique - Towards an Automated Computational Detection of Biologically Active Compounds Using Multivariate Methods (FLUFF-BALL, sumea superpositio ja QSAR-menetelmä - Tavoitteena bioaktiivisten molekyylien automaattinen tietokoneavusteinen tunnistaminen hyödyntäen monimuuttujamenetelmiä)

, 2007
Samuli‐Petrus Korhonen
openalex   +1 more source