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PubChem

PubChem is a database of chemical molecules and their activities against biological assays. The system is maintained by the National Center for Biotechnology Information, a component of the National Library of Medicine, part of the United States National Institutes of Health. PubChem can be accessed for free through a web user interface. Millions of compound structures and descriptive datasets can be downloaded via FTP. PubChem contains substance descriptions and small molecules with fewer than 1000 atoms and 1000 bonds. More than 80 database vendors contribute to the growing PubChem database. PubChem consists of three dynamically growing primary databases; as of 1 November 2017: Compounds, 93.9 million entries, contains pure and characterized chemical compounds. Substances, 236 million entries, contains mixtures, extracts and uncharacterized substances. BioAssay, bioactivity results from 1.25 million high-throughput screening programs with several million values. Searching the databases is possible for a broad range of properties including chemical structure, name fragments, chemical formula, molecular weight, XLogP, hydrogen bond donor and acceptor count.

PubChem contains its own online molecule editor with SMILES/SMARTS and InChI support that allows the import and export of all common chemical file formats to search for structures and fragments. Each hit provides information about synonyms, chemical properties, chemical structure including SMILES and InChI strings and links to structurally related compounds and other NCBI databases like PubMed. In the text search form the database fields can be searched by adding the field name in square brackets to the search term. A numeric range is represented by two numbers separated by a colon; the search terms and field names are case-insensitive. Parentheses and the logical operators AND, OR, NOT can be used. AND is assumed. Example: 0:500 0:5 0:10 -5:5 PubChem was released in 2004; the American Chemical Society has raised concerns about the publicly supported PubChem database, since it appears to directly compete with their existing Chemical Abstracts Service. They have a strong interest in the issue since the Chemical Abstracts Service generates a large percentage of the society's revenue.

To advocate their position against the PubChem database, ACS has lobbied the US Congress. Soon after PubChem's creation, the American Chemical Society lobbied U. S. Congress to restrict the operation of PubChem, which they asserted competes with their Chemical Abstracts Service. Chemical database CAS Common Chemistry - run by the American Chemical Society Comparative Toxicogenomics Database - run by North Carolina State University ChEMBL - run by European Bioinformatics Institute ChemSpider - run by UK's Royal Society of Chemistry DrugBank - run by the University of Alberta IUPAC - run by Swiss-based International Union of Pure and Applied Chemistry Moltable - run by India's National Chemical Laboratory PubChem - run by the National Institute of Health, USA BindingDB - run by the University of California, San Diego SCRIPDB - run by the University of Toronto, Canada National Center for Biotechnology Information - run by the National Institute of Health, USA Entrez - run by the National Institute of Health, USA GenBank - run by the National Institute of Health, USA Official website

Tomáš Hertl

Tomáš Hertl is a Czech professional ice hockey forward and alternate captain for the San Jose Sharks of the National Hockey League. Hertl was selected 17th overall in the 2012 NHL Entry Draft by the Sharks, he is the first player born in the modern Czech Republic after the dissolution of Czechoslovakia to appear in an NHL game. Prior to being drafted, Hertl played for HC Slavia Praha of the Czech Extraliga. Hertl started his playing career with HC Slavia Praha in the Czech Extraliga, playing on the U18 and U20 squads in 2009–10, he was the third-highest scorer on 26 assists. On the U18 team, Hertl scored 10 assists; the next season, Hertl was among four players on the U20 team with 40+ points. In 2011 -- 12, Hertl was the fourth-leading scorer for Slavia, with 15 assists; the NHL Central Scouting Bureau ranked Hertl fifth among European skaters before the 2012 NHL Entry Draft. Sports Illustrated's Allan Muir ranked Hertl as the 18th best prospect in the 2012 draft. ISS Hockey listed Hertl as the 32nd best, while The Hockey News and TSN scout Craig Button listed him as the 24th and 22nd best player, respectively.

Among Hertl's advantages include his large body and a good physical and defensive play, which Muir compared to Martin Hanzal. However, Muir wrote, "Hertl's not the most agile skater or finisher, he has a tendency to try to do too much." Button stated that Hertl, although not fast, his agility compensates for his speed. After being drafted, Hertl rejoined scoring 30 points in 43 games; the Sharks signed Hertl to a three-year entry-level contract on 3 June 2013. In the preseason, Hertl scored 3 goals and 1 assist, joined Joe Thornton and Brent Burns on a line, filling the hole created by Raffi Torres' injury. Hertl made his NHL debut against the Vancouver Canucks on 3 October, 2013 and tallied his first career point with an assist on a goal by Brent Burns. At age 19, Hertl became the first teenager to play in a season opener for the Sharks since Marc-Édouard Vlasic in 2006. Hertl scored his first two NHL goals in the next game on 5 October 2013, against Mike Smith of the Phoenix Coyotes. On 8 October 2013, Hertl registered 4 goals against the New York Rangers in a 9–2 victory, making him the fourth youngest player in the NHL to record a four-goal game after Jimmy Carson did in the 1987–88 NHL season with the Los Angeles Kings.

Hertl became the first Shark to score four goals in one game since Owen Nolan in 1995. Hertl was named the October Rookie of the Month, scoring eight goals, which led all rookies, 11 points in 13 games. However, on 19 December against the Kings, Hertl injured his knee after a collision with Dustin Brown, is reported to miss at least a month. Hertl had PCL in his right knee on 31 December. A former NHL trainer stated that the "best-case scenario" for Hertl's return was twelve weeks, though Kevin Kurz of CSN Bay Area wrote that Hertl could be out for six to nine months. On 11 April 2014, Hertl was cleared to return to the Sharks against the Colorado Avalanche, ending a 45-game absence. On 17 April, against the Kings, Hertl scored his first career playoff goal. On 29 June 2016, at the conclusion of his entry-level contract, Hertl agreed to a two-year $6 million extension to remain with the Sharks, he signed a four-year contract extension with the Sharks on 2 July 2018. During the 2018–19 season, Hertl posted 74 points in 77 games as the Sharks advanced to the 2019 Stanley Cup playoffs.

The Sharks faced off against the Vegas Golden Knights in the first round and in Game 6 Hertl scored a short-handed goal in double overtime to force a Game 7, which the Sharks won 5-4 in overtime. Following this, the Sharks beat the Colorado Avalanche in seven games, before being defeated by the St. Louis Blues in the Western Conference Finals. In January 2020, Hertl participated in the 2020 National Hockey League All-Star Game as an alternate following an injury to teammate Logan Couture. On 29 January, he left the Sharks' game against the Canucks with what was revealed to be season-ending tears to the ACL and MCL. Hertl joined the Czech Republic at the 2011 IIHF World U18 Championships, scoring 1 goal, as the team finished eighth; the next year, Hertl participated in the 2012 World Junior Ice Hockey Championships for the Czechs, scoring 3 goals and 2 assists, with the team finishing fifth. He played in the 2013 edition, in which the Czech team finished fifth. Hertl played with the Czech Republic at the 2013 IIHF World Championship, where he was the youngest player on the team.

Due to the knee injury against the Kings in December 2013, Hertl was forced to have surgery and missed out on participating in the 2014 Sochi Olympics. Hertl returned to the Czech team for the 2015 IIHF World Championship. Hertl was selected to play for the Czech Republic in the 2016 World Cup. Biographical information and career statistics from NHL.com, or Eliteprospects.com, or Eurohockey.com, or Hockey-Reference.com, or The Internet Hockey Database

Néris-les-Bains

Néris-les-Bains is a commune in the Allier department in the Auvergne region in central France. The name Néris comes from a deity personifying the local thermal spring. 8 kilometers southeast of Montluçon, the town is on departmental road 2144, which links Clermont-Ferrand to Bourges via Montluçon, follows the trail of the ancient Roman way. The town is at 352 meters of altitude, on the first foothills of the Massif central, more the plateau of the Combrailles. At that time, Néris was called Nériomagos, it was a village with a booming trade, at the crossroads of two major ways. "Nérios" was Latinized into "Nérius", "Nériomagos" became "Aquae Nerii". The spring was used for therapeutic purposes and two luxurious thermal baths were created. Numerous monuments were built, including villas; the 8th legion Augusta stationed there at the end of the 1st century. A circle theater was built to offer circus games and stage performances to the soldiers and inhabitants. Many relics remain from that golden age.

Around 275 C. E. the Germanic invasions destroyed a part of the town and the population fled, leaving behind monetary treasures. In the 4th century, the thermal baths and the houses were rearranged and occupied again. A new wave of invasions destroyed the town again, the ruins were used as a gravel-pit by the Merovingian population. Stone blocks belonging to the public buildings were thus used for the sarcophaguses now located under the glass pyramid on the church square. Saint Patrocle built a church and a convent there; the current romanesque church dates back to the 11th or 12th century and was built in the same place as the original 6th-century basilica, erected upon the ruins of a Roman building. The Carolingian king Pépin the First of Aquitaine, Charlemagne's grandson, stayed in Néris in 835 and 838. Néris' thermal baths' fame increased. Rabelais mentioned them in Pantagruel, Nicolas de Nicolay, King Charles the Ninth of France' geographer, cited the "Baings de Nérys" in 1569. Néris' new golden age began when the Dauphine, Duchess of Angoulême, lay the foundation stone of the new thermal resort.

The hotels, the casino and the theater were built. Among the famous people who followed a thermal course of treatment in Néri were Chateaubriand, Musset and the empress Eugénie. At that time, archaeological excavations began to discover the Roman Aquae Nerii's infrastructure. Society life was in full swing, grand parties were organized. Néris became a "hospital town" during the first World War, where injured soldiers were taken care of. By the end of the war, the thermal baths were prosperous again. In 1930, the railroad line between Néris and Montluçon entered service, as did the train station in Néris, with its pink sandstone and its multicolored roof, designed by Louis Brachet; the bourgeoisie and the politic class used the thermal baths, including the Poincaré family, Léon Blum. The second World War and the social progress that preceded it gave the town a new look and a new clientele; the thermal baths were modernized and the town equipped itself with golf, an archaeological museum and a swimming pool.

Néris started emphasizing its heritage. The inhabitants of Néris-les-Bains are called Nérisiens; the 18th-century French economist Joachim Faiguet de Villeneuve [1703–1781) died in Néris-les-Bains. Template:Historical population The Saint Georges Church The Merovingian necropolis The City Hall The former train station, by architect Louis Brachet Saint Joseph's Chapel The spa and theater Communes of the Allier department INSEE Route des Villes d'Eaux du Massif Central